N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide

C20H22N2O2 — CID 16919275

IUPACN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O2/c1-15-7-9-18(10-8-15)20(24)21-12-17-11-19(23)22(14-17)13-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)
InChIKeyXCCGSLGASCBUCO-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.77
Rot. Bonds5

About N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide (PubChem CID 16919275) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
PubChem CID16919275
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O2/c1-15-7-9-18(10-8-15)20(24)21-12-17-11-19(23)22(14-17)13-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)
InChIKeyXCCGSLGASCBUCO-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16919321
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 16919284
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 16919361
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 110640106
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-propylpentanamide
CID 16919255
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
CID 16919382
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide
CID 124614944

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide?
The IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide (CID 16919275) is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2CC(=O)N(Cc3ccccc3)C2)cc1.
What is the InChIKey of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide?
The InChIKey is XCCGSLGASCBUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-7-9-18(10-8-15)20(24)21-12-17-11-19(23)22(14-17)13-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24).
What are the key properties of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide?
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 16919275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).