1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide

C24H29N3O3 — CID 112821500

IUPAC1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)C2CCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H29N3O3/c1-3-26(4-2)23(29)20-14-12-18(13-15-20)17-25-22(28)21-11-8-16-27(21)24(30)19-9-6-5-7-10-19/h5-7,9-10,12-15,21H,3-4,8,11,16-17H2,1-2H3,(H,25,28)
InChIKeyQNSOYLKKXIJYJX-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.09
Rot. Bonds7

About 1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide

1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 112821500) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID112821500
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)C2CCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H29N3O3/c1-3-26(4-2)23(29)20-14-12-18(13-15-20)17-25-22(28)21-11-8-16-27(21)24(30)19-9-6-5-7-10-19/h5-7,9-10,12-15,21H,3-4,8,11,16-17H2,1-2H3,(H,25,28)
InChIKeyQNSOYLKKXIJYJX-UHFFFAOYSA-N
XLogP3.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049765
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
1-(3-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 46757142
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
CID 112823538
1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide
CID 136524906
N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119643109
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide
CID 136525157
(2R)-N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 815025

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 112821500) is 1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide is CCN(CC)C(=O)c1ccc(CNC(=O)C2CCCN2C(=O)c2ccccc2)cc1.
What is the InChIKey of 1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is QNSOYLKKXIJYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-26(4-2)23(29)20-14-12-18(13-15-20)17-25-22(28)21-11-8-16-27(21)24(30)19-9-6-5-7-10-19/h5-7,9-10,12-15,21H,3-4,8,11,16-17H2,1-2H3,(H,25,28).
What are the key properties of 1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide?
1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 112821500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).