N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C20H21N3O3 — CID 110309392

IUPACN-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c24-18-10-5-13-23(18)17-9-4-8-16(14-17)20(26)22-12-11-21-19(25)15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2,(H,21,25)(H,22,26)
InChIKeyDGGNRILFNWWOEQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.97
Rot. Bonds6

About N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide

N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 110309392) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID110309392
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c24-18-10-5-13-23(18)17-9-4-8-16(14-17)20(26)22-12-11-21-19(25)15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2,(H,21,25)(H,22,26)
InChIKeyDGGNRILFNWWOEQ-UHFFFAOYSA-N
XLogP1.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
3-(2-oxopyrrolidin-1-yl)-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110615723
N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
CID 17487273
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391
N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119548405
3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3561777
N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174646
3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317766
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 110309392) is N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is DGGNRILFNWWOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-18-10-5-13-23(18)17-9-4-8-16(14-17)20(26)22-12-11-21-19(25)15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2,(H,21,25)(H,22,26).
What are the key properties of N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 110309392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).