N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C21H24N2O2 — CID 17080589

IUPACN-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c1-3-15(2)18-11-7-8-12-19(18)22-21(25)16-13-20(24)23(14-16)17-9-5-4-6-10-17/h4-12,15-16H,3,13-14H2,1-2H3,(H,22,25)
InChIKeyHUMDQODFUZPSKK-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.19
Rot. Bonds5

About N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 17080589) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID17080589
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c1-3-15(2)18-11-7-8-12-19(18)22-21(25)16-13-20(24)23(14-16)17-9-5-4-6-10-17/h4-12,15-16H,3,13-14H2,1-2H3,(H,22,25)
InChIKeyHUMDQODFUZPSKK-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2218525
(3S)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7337338
N-(2-butan-2-ylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118726
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9376758
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 7718778
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364707
1-(4-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2925121
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365348
N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152438
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 17080589) is N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is CCC(C)c1ccccc1NC(=O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is HUMDQODFUZPSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-15(2)18-11-7-8-12-19(18)22-21(25)16-13-20(24)23(14-16)17-9-5-4-6-10-17/h4-12,15-16H,3,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17080589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).