2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide

C21H24N2O3 — CID 167537285

IUPAC2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCc1cccc(CN2CC(CNC(=O)c3cc(C)ccc3O)CC2=O)c1
InChIInChI=1S/C21H24N2O3/c1-14-4-3-5-16(8-14)12-23-13-17(10-20(23)25)11-22-21(26)18-9-15(2)6-7-19(18)24/h3-9,17,24H,10-13H2,1-2H3,(H,22,26)
InChIKeyOUYRKKHFSIZMNH-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.79
Rot. Bonds5

About 2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide

2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 167537285) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
PubChem CID167537285
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCc1cccc(CN2CC(CNC(=O)c3cc(C)ccc3O)CC2=O)c1
InChIInChI=1S/C21H24N2O3/c1-14-4-3-5-16(8-14)12-23-13-17(10-20(23)25)11-22-21(26)18-9-15(2)6-7-19(18)24/h3-9,17,24H,10-13H2,1-2H3,(H,22,26)
InChIKeyOUYRKKHFSIZMNH-UHFFFAOYSA-N
XLogP2.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide
CID 124614944
2-(3-methylphenyl)-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40897451
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
CID 16919382
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 97060537
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2,4-dimethoxybenzamide
CID 16919286
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106124287
N-[[(3S)-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]methyl]-2-hydroxy-5-methylbenzamide
CID 95230640
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 103279879

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide (CID 167537285) is 2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide is Cc1cccc(CN2CC(CNC(=O)c3cc(C)ccc3O)CC2=O)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide?
The InChIKey is OUYRKKHFSIZMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-4-3-5-16(8-14)12-23-13-17(10-20(23)25)11-22-21(26)18-9-15(2)6-7-19(18)24/h3-9,17,24H,10-13H2,1-2H3,(H,22,26).
What are the key properties of 2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide?
2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 167537285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).