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

C18H23N3O3 — CID 6622003

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H23N3O3/c22-16-4-1-11-20(16)12-3-10-19-18(24)14-6-8-15(9-7-14)21-13-2-5-17(21)23/h6-9H,1-5,10-13H2,(H,19,24)
InChIKeyJXBNUMDKKADRLO-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.56
Rot. Bonds6

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

4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 6622003) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID6622003
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H23N3O3/c22-16-4-1-11-20(16)12-3-10-19-18(24)14-6-8-15(9-7-14)21-13-2-5-17(21)23/h6-9H,1-5,10-13H2,(H,19,24)
InChIKeyJXBNUMDKKADRLO-UHFFFAOYSA-N
XLogP1.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Procainamide
CID 4913
N-Acetylprocainamide
CID 4342
Procainamide Hydrochloride
CID 66068
Acecainide Hydrochloride
CID 71417
4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide
CID 3994
4-amino-N-benzylbenzamide
CID 577832
Cpi 1189
CID 151118
SK-7041
CID 6918714
SK-7068
CID 9799221
4-amino-N,N-diethylbenzamide
CID 458760
N-(4-acetylphenyl)-2-(pyrrolidin-1-yl)acetamide
CID 930524
4-(Pyrrolidin-1-ylcarbonyl)aniline
CID 577800

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 6622003) is 4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is O=C(NCCCN1CCCC1=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is JXBNUMDKKADRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-16-4-1-11-20(16)12-3-10-19-18(24)14-6-8-15(9-7-14)21-13-2-5-17(21)23/h6-9H,1-5,10-13H2,(H,19,24).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 6622003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).