ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate

C21H22N2O4 — CID 110426669

IUPACethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-2-27-21(26)16-8-10-17(11-9-16)22-20(25)18-12-13-19(24)23(18)14-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,22,25)
InChIKeyNCFYUTJHNYRWMW-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.99
Rot. Bonds6

About ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate

ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate (PubChem CID 110426669) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
PubChem CID110426669
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-2-27-21(26)16-8-10-17(11-9-16)22-20(25)18-12-13-19(24)23(18)14-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,22,25)
InChIKeyNCFYUTJHNYRWMW-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110423663
ethyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8885570
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110614172
ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate
CID 42652876
1-benzyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110412225
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110427077
1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110421891
1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110674300
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
ethyl 3-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate
CID 66644659

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate (CID 110426669) is ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate?
The InChIKey is NCFYUTJHNYRWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-2-27-21(26)16-8-10-17(11-9-16)22-20(25)18-12-13-19(24)23(18)14-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,22,25).
What are the key properties of ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate?
ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate has a molecular weight of 366.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 110426669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).