N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide

C20H22N2O2 — CID 4787941

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c23-19-8-4-14-22(19)15-5-13-21-20(24)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13-15H2,(H,21,24)
InChIKeyHIWUZWYEFFSVEJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.10
Rot. Bonds6

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide (PubChem CID 4787941) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
PubChem CID4787941
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c23-19-8-4-14-22(19)15-5-13-21-20(24)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13-15H2,(H,21,24)
InChIKeyHIWUZWYEFFSVEJ-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide
CID 122562091
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 50815808
4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 18161251
4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide
CID 59697900
tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate
CID 145482017
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
4-cyano-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 39959545
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide (CID 4787941) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide is O=C(NCCCN1CCCC1=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide?
The InChIKey is HIWUZWYEFFSVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19-8-4-14-22(19)15-5-13-21-20(24)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13-15H2,(H,21,24).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide is sourced from PubChem (CID 4787941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).