N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide

C19H28N2O2 — CID 16918191

IUPACN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c1-3-8-16(9-4-2)19(23)20-13-15-12-18(22)21(14-15)17-10-6-5-7-11-17/h5-7,10-11,15-16H,3-4,8-9,12-14H2,1-2H3,(H,20,23)
InChIKeyLOWHHJNUKLKWJT-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.37
Rot. Bonds8

About N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide

N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide (PubChem CID 16918191) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide
PubChem CID16918191
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c1-3-8-16(9-4-2)19(23)20-13-15-12-18(22)21(14-15)17-10-6-5-7-11-17/h5-7,10-11,15-16H,3-4,8-9,12-14H2,1-2H3,(H,20,23)
InChIKeyLOWHHJNUKLKWJT-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2,2-diphenylacetamide
CID 16918291
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 16918798
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918317
methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
CID 16918311
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
2-(3-chlorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110737325
2-(dimethylcarbamoylamino)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 125162032
3-cyclopentyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 16918197
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]adamantane-1-carboxamide
CID 16918199

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide?
The IUPAC name of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide (CID 16918191) is N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide.
What is the SMILES notation for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide?
The canonical SMILES for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide?
The InChIKey is LOWHHJNUKLKWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-8-16(9-4-2)19(23)20-13-15-12-18(22)21(14-15)17-10-6-5-7-11-17/h5-7,10-11,15-16H,3-4,8-9,12-14H2,1-2H3,(H,20,23).
What are the key properties of N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide?
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide has a molecular weight of 316.44 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide is sourced from PubChem (CID 16918191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).