(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H24N2O3 — CID 32734074

IUPAC(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C18H24N2O3/c1-23-16-8-4-5-13(9-16)11-19-18(22)14-10-17(21)20(12-14)15-6-2-3-7-15/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyNKTMIYNJKBQGOD-AWEZNQCLSA-N
MW316.40 g/mol
LogP2.10
Rot. Bonds5

About (3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 32734074) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID32734074
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C18H24N2O3/c1-23-16-8-4-5-13(9-16)11-19-18(22)14-10-17(21)20(12-14)15-6-2-3-7-15/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyNKTMIYNJKBQGOD-AWEZNQCLSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246596
1-cyclobutyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110687475
(3R)-1-cyclopropyl-5-oxo-N-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 39576791
(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94348927
1-cyclopentyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 71942205
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 126448423
N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51153764
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25480878
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 32734074) is (3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1.
What is the InChIKey of (3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NKTMIYNJKBQGOD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-16-8-4-5-13(9-16)11-19-18(22)14-10-17(21)20(12-14)15-6-2-3-7-15/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 32734074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).