N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C17H24N2O3 — CID 110911035

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)C(C(=O)NCc1ccccc1CO)N1CCCC1=O
InChIInChI=1S/C17H24N2O3/c1-12(2)16(19-9-5-8-15(19)21)17(22)18-10-13-6-3-4-7-14(13)11-20/h3-4,6-7,12,16,20H,5,8-11H2,1-2H3,(H,18,22)
InChIKeyNMJPBKDCMUZVAX-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.44
Rot. Bonds6

About N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 110911035) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID110911035
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)C(C(=O)NCc1ccccc1CO)N1CCCC1=O
InChIInChI=1S/C17H24N2O3/c1-12(2)16(19-9-5-8-15(19)21)17(22)18-10-13-6-3-4-7-14(13)11-20/h3-4,6-7,12,16,20H,5,8-11H2,1-2H3,(H,18,22)
InChIKeyNMJPBKDCMUZVAX-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996
(2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 98354419
(2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52515379
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-(2-amino-2-methylpropyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119629967
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
(2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95177177
N-(2-ethyl-2-hydroxybutyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111463359
(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95296556
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 127311468
(2R)-2-(2-oxopyrrolidin-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 95717558
(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 94817440

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 110911035) is N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is CC(C)C(C(=O)NCc1ccccc1CO)N1CCCC1=O.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is NMJPBKDCMUZVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)16(19-9-5-8-15(19)21)17(22)18-10-13-6-3-4-7-14(13)11-20/h3-4,6-7,12,16,20H,5,8-11H2,1-2H3,(H,18,22).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 304.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 110911035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).