(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C18H23N3O3 — CID 40965785

IUPAC(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2C[C@@H](C(=O)NC3CCCC3)CC2=O)cc1
InChIInChI=1S/C18H23N3O3/c1-12(22)19-15-6-8-16(9-7-15)21-11-13(10-17(21)23)18(24)20-14-4-2-3-5-14/h6-9,13-14H,2-5,10-11H2,1H3,(H,19,22)(H,20,24)/t13-/m0/s1
InChIKeyOYOOJKPUEYFVCE-ZDUSSCGKSA-N
MW329.40 g/mol
LogP2.06
Rot. Bonds4

About (3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 40965785) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID40965785
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2C[C@@H](C(=O)NC3CCCC3)CC2=O)cc1
InChIInChI=1S/C18H23N3O3/c1-12(22)19-15-6-8-16(9-7-15)21-11-13(10-17(21)23)18(24)20-14-4-2-3-5-14/h6-9,13-14H,2-5,10-11H2,1H3,(H,19,22)(H,20,24)/t13-/m0/s1
InChIKeyOYOOJKPUEYFVCE-ZDUSSCGKSA-N
XLogP2.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide
CID 92884772
1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113188040
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189874
N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791094
N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081982
N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2850553
N-cyclopentyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 18525226
1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 17120007
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
N-[4-[(4S)-4-[(2R)-2-methylpiperidine-1-carbonyl]-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 27210941
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 40965785) is (3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1ccc(N2C[C@@H](C(=O)NC3CCCC3)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OYOOJKPUEYFVCE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(22)19-15-6-8-16(9-7-15)21-11-13(10-17(21)23)18(24)20-14-4-2-3-5-14/h6-9,13-14H,2-5,10-11H2,1H3,(H,19,22)(H,20,24)/t13-/m0/s1.
What are the key properties of (3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40965785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).