N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide

C20H30N2O2 — CID 16919255

IUPACN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-3-8-18(9-4-2)20(24)21-13-17-12-19(23)22(15-17)14-16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3,(H,21,24)
InChIKeyQSXOTWLIBXEDOQ-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.37
Rot. Bonds9

About N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide (PubChem CID 16919255) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
PubChem CID16919255
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-3-8-18(9-4-2)20(24)21-13-17-12-19(23)22(15-17)14-16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3,(H,21,24)
InChIKeyQSXOTWLIBXEDOQ-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16918191
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]butanamide
CID 16919406
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
CID 16919382
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 16919284
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898464
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898459
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16919321

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide?
The IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide (CID 16919255) is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide.
What is the SMILES notation for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide?
The canonical SMILES for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide?
The InChIKey is QSXOTWLIBXEDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-8-18(9-4-2)20(24)21-13-17-12-19(23)22(15-17)14-16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3,(H,21,24).
What are the key properties of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide?
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide has a molecular weight of 330.47 g/mol, XLogP of 3.37, 9 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]-2-propylpentanamide is sourced from PubChem (CID 16919255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).