(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C18H26N2O2 — CID 9400508

IUPAC(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC[C@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C18H26N2O2/c1-5-13(4)14-6-8-16(9-7-14)19-18(22)15-10-17(21)20(11-15)12(2)3/h6-9,12-13,15H,5,10-11H2,1-4H3,(H,19,22)/t13-,15-/m0/s1
InChIKeyIQEPCXDLSIBLLJ-ZFWWWQNUSA-N
MW302.42 g/mol
LogP3.40
Rot. Bonds5

About (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 9400508) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID9400508
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC[C@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C18H26N2O2/c1-5-13(4)14-6-8-16(9-7-14)19-18(22)15-10-17(21)20(11-15)12(2)3/h6-9,12-13,15H,5,10-11H2,1-4H3,(H,19,22)/t13-,15-/m0/s1
InChIKeyIQEPCXDLSIBLLJ-ZFWWWQNUSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
(3R)-N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1092696
(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1248305
5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17119734
N-[4-(dimethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119798
N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153451
(3R)-N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375649
(3S)-5-oxo-1-propan-2-yl-N-(4-prop-2-enoxyphenyl)pyrrolidine-3-carboxamide
CID 7256139
(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 796285
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113182232
N-(3,4-dimethylphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826759

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 9400508) is (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC[C@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1.
What is the InChIKey of (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is IQEPCXDLSIBLLJ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-13(4)14-6-8-16(9-7-14)19-18(22)15-10-17(21)20(11-15)12(2)3/h6-9,12-13,15H,5,10-11H2,1-4H3,(H,19,22)/t13-,15-/m0/s1.
What are the key properties of (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9400508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).