(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide

C17H24N2O3 — CID 9376616

IUPAC(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1
InChIInChI=1S/C17H24N2O3/c1-4-13(5-2)18-17(21)12-9-16(20)19(11-12)14-7-6-8-15(10-14)22-3/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyYJTNNLSQALTEMM-LBPRGKRZSA-N
MW304.39 g/mol
LogP2.35
Rot. Bonds6

About (3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide

(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 9376616) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID9376616
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1
InChIInChI=1S/C17H24N2O3/c1-4-13(5-2)18-17(21)12-9-16(20)19(11-12)14-7-6-8-15(10-14)22-3/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyYJTNNLSQALTEMM-LBPRGKRZSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-methoxyphenyl)-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9376482
1-(3,4-dimethoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 134060426
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121
(3S)-1-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9376574
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9393495
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
(3R)-N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375649
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9376758
(3R)-1-(3-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 34656034
(3R)-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375419

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide (CID 9376616) is (3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1.
What is the InChIKey of (3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is YJTNNLSQALTEMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-13(5-2)18-17(21)12-9-16(20)19(11-12)14-7-6-8-15(10-14)22-3/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide?
(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9376616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).