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

C22H26N2O3 — CID 9376758

IUPAC(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1
InChIInChI=1S/C22H26N2O3/c1-4-15(2)19-10-5-6-11-20(19)23-22(26)16-12-21(25)24(14-16)17-8-7-9-18(13-17)27-3/h5-11,13,15-16H,4,12,14H2,1-3H3,(H,23,26)/t15-,16-/m0/s1
InChIKeyLUBWODIFVHREQD-HOTGVXAUSA-N
MW366.46 g/mol
LogP4.20
Rot. Bonds6

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

(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9376758) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9376758
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1
InChIInChI=1S/C22H26N2O3/c1-4-15(2)19-10-5-6-11-20(19)23-22(26)16-12-21(25)24(14-16)17-8-7-9-18(13-17)27-3/h5-11,13,15-16H,4,12,14H2,1-3H3,(H,23,26)/t15-,16-/m0/s1
InChIKeyLUBWODIFVHREQD-HOTGVXAUSA-N
XLogP4.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080589
(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2218525
(3R)-N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375649
(3S)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7337338
(3R)-1-(3-methoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1260283
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 7718778
N-(2-butan-2-ylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118726
N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46557865
(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9376616
1-(3-methoxyphenyl)-N-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55555826
1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55345584
(3S)-1-(3-methoxyphenyl)-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9376482

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9376758) is (3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CC[C@H](C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1.
What is the InChIKey of (3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LUBWODIFVHREQD-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-15(2)19-10-5-6-11-20(19)23-22(26)16-12-21(25)24(14-16)17-8-7-9-18(13-17)27-3/h5-11,13,15-16H,4,12,14H2,1-3H3,(H,23,26)/t15-,16-/m0/s1.
What are the key properties of (3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9376758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).