(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C16H22N2O3 — CID 673163

IUPAC(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H22N2O3/c1-4-11(2)17-16(20)12-9-15(19)18(10-12)13-5-7-14(21-3)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)/t11-,12+/m1/s1
InChIKeyISHDEUNXFKJOOB-NEPJUHHUSA-N
MW290.36 g/mol
LogP1.96
Rot. Bonds5

About (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 673163) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID673163
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H22N2O3/c1-4-11(2)17-16(20)12-9-15(19)18(10-12)13-5-7-14(21-3)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)/t11-,12+/m1/s1
InChIKeyISHDEUNXFKJOOB-NEPJUHHUSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(4-methoxyphenyl)-N-(6-methylheptan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17309378
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262
N-butan-2-yl-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187207
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46921272
N-butan-2-yl-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187980
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-[(2R)-2-(ethylamino)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 120650711
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
(3S)-1-(3-methoxyphenyl)-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9376482
N-(1-amino-4-methylpentan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588603
(3S)-N-[(2S)-butan-2-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393073

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 673163) is (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ISHDEUNXFKJOOB-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-11(2)17-16(20)12-9-15(19)18(10-12)13-5-7-14(21-3)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)/t11-,12+/m1/s1.
What are the key properties of (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 673163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).