1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide

C21H29N3O3 — CID 166197517

IUPAC1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)C1CCCN1C(=O)C1CCCC1)NCCc1ccccc1
InChIInChI=1S/C21H29N3O3/c25-19(22-13-12-16-7-2-1-3-8-16)15-23-20(26)18-11-6-14-24(18)21(27)17-9-4-5-10-17/h1-3,7-8,17-18H,4-6,9-15H2,(H,22,25)(H,23,26)
InChIKeyBECMKMJCEOGGMO-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.64
Rot. Bonds7

About 1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide

1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 166197517) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
PubChem CID166197517
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)C1CCCN1C(=O)C1CCCC1)NCCc1ccccc1
InChIInChI=1S/C21H29N3O3/c25-19(22-13-12-16-7-2-1-3-8-16)15-23-20(26)18-11-6-14-24(18)21(27)17-9-4-5-10-17/h1-3,7-8,17-18H,4-6,9-15H2,(H,22,25)(H,23,26)
InChIKeyBECMKMJCEOGGMO-UHFFFAOYSA-N
XLogP1.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 94139500
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
benzyl (2S)-2-(4-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 59893762
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 71893595
4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid
CID 119168696
(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 1468798
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 75384682
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
(2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid
CID 22958470
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide (CID 166197517) is 1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide is O=C(CNC(=O)C1CCCN1C(=O)C1CCCC1)NCCc1ccccc1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is BECMKMJCEOGGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-19(22-13-12-16-7-2-1-3-8-16)15-23-20(26)18-11-6-14-24(18)21(27)17-9-4-5-10-17/h1-3,7-8,17-18H,4-6,9-15H2,(H,22,25)(H,23,26).
What are the key properties of 1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide?
1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166197517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).