1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide

C17H24N2O3 — CID 91638875

IUPAC1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(CO)NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-12(2)15(11-20)18-17(22)14-8-16(21)19(10-14)9-13-6-4-3-5-7-13/h3-7,12,14-15,20H,8-11H2,1-2H3,(H,18,22)
InChIKeyBOOOEVQTMVKNGI-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.17
Rot. Bonds6

About 1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 91638875) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID91638875
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(CO)NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-12(2)15(11-20)18-17(22)14-8-16(21)19(10-14)9-13-6-4-3-5-7-13/h3-7,12,14-15,20H,8-11H2,1-2H3,(H,18,22)
InChIKeyBOOOEVQTMVKNGI-UHFFFAOYSA-N
XLogP1.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119586792
(3R)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914192
(3S)-1-benzyl-N-(1-naphthalen-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 174554990
(3S)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914467
1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 18079780
(3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95632586
(2S)-3-methyl-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119359431
2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119165639
1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 46527621
1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 46705210
2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 119233557

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 91638875) is 1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide is CC(C)C(CO)NC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BOOOEVQTMVKNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)15(11-20)18-17(22)14-8-16(21)19(10-14)9-13-6-4-3-5-7-13/h3-7,12,14-15,20H,8-11H2,1-2H3,(H,18,22).
What are the key properties of 1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 91638875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).