N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C19H28N2O3 — CID 109381238

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H28N2O3/c1-13(2)17(23)19(3,4)12-20-18(24)14-7-5-8-15(11-14)21-10-6-9-16(21)22/h5,7-8,11,13,17,23H,6,9-10,12H2,1-4H3,(H,20,24)
InChIKeyAFDKJWAWQYQXSW-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.59
Rot. Bonds6

About N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 109381238) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID109381238
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H28N2O3/c1-13(2)17(23)19(3,4)12-20-18(24)14-7-5-8-15(11-14)21-10-6-9-16(21)22/h5,7-8,11,13,17,23H,6,9-10,12H2,1-4H3,(H,20,24)
InChIKeyAFDKJWAWQYQXSW-UHFFFAOYSA-N
XLogP2.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
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N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
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N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
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N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
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3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
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3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
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N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174646
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016
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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 109381238) is N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide is CC(C)C(O)C(C)(C)CNC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is AFDKJWAWQYQXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(2)17(23)19(3,4)12-20-18(24)14-7-5-8-15(11-14)21-10-6-9-16(21)22/h5,7-8,11,13,17,23H,6,9-10,12H2,1-4H3,(H,20,24).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 332.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 109381238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).