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Home Carboxys tert-Butyl 4-((2-(diethylamino)ethyl)carbamoyl)-3,5-dimethyl-1h-pyrrole-2-carboxylate

tert-Butyl 4-((2-(diethylamino)ethyl)carbamoyl)-3,5-dimethyl-1h-pyrrole-2-carboxylate

CAS No.:
590424-04-7
Catalog Number:
AG00EG6X
Molecular Formula:
C18H31N3O3
Molecular Weight:
337.4570
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Product Description
Catalog Number:
AG00EG6X
Chemical Name:
tert-Butyl 4-((2-(diethylamino)ethyl)carbamoyl)-3,5-dimethyl-1h-pyrrole-2-carboxylate
CAS Number:
590424-04-7
Molecular Formula:
C18H31N3O3
Molecular Weight:
337.4570
MDL Number:
MFCD13181868
IUPAC Name:
tert-butyl 4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C18H31N3O3/c1-8-21(9-2)11-10-19-16(22)14-12(3)15(20-13(14)4)17(23)24-18(5,6)7/h20H,8-11H2,1-7H3,(H,19,22)
InChI Key:
ULCXXVYUVOQRQX-UHFFFAOYSA-N
SMILES:
CCN(CCNC(=O)c1c(C)[nH]c(c1C)C(=O)OC(C)(C)C)CC
Properties
Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.237g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
337.464g/mol
Monoisotopic Mass:
337.237g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties