N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide

C20H22N4O3 — CID 120604401

IUPACN-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H22N4O3/c21-10-11-22-20(27)16-7-1-2-8-17(16)23-19(26)14-5-3-6-15(13-14)24-12-4-9-18(24)25/h1-3,5-8,13H,4,9-12,21H2,(H,22,27)(H,23,26)
InChIKeyIYLGFEPAFWCUGD-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.75
Rot. Bonds6

About N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide

N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide (PubChem CID 120604401) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
PubChem CID120604401
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H22N4O3/c21-10-11-22-20(27)16-7-1-2-8-17(16)23-19(26)14-5-3-6-15(13-14)24-12-4-9-18(24)25/h1-3,5-8,13H,4,9-12,21H2,(H,22,27)(H,23,26)
InChIKeyIYLGFEPAFWCUGD-UHFFFAOYSA-N
XLogP1.75
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride
CID 120604511
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-[2-(2-aminoethylcarbamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 120604023
2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 46828137
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 120603890
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119548405
N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174646

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide (CID 120604401) is N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide is NCCNC(=O)c1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide?
The InChIKey is IYLGFEPAFWCUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c21-10-11-22-20(27)16-7-1-2-8-17(16)23-19(26)14-5-3-6-15(13-14)24-12-4-9-18(24)25/h1-3,5-8,13H,4,9-12,21H2,(H,22,27)(H,23,26).
What are the key properties of N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide?
N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide has a molecular weight of 366.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 120604401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).