3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide

C20H23N3O3 — CID 52703555

IUPAC3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C20H23N3O3/c1-3-10-21-20(26)16-7-5-8-17(12-16)22-13-19(25)23-18-9-4-6-15(11-18)14(2)24/h4-9,11-12,22H,3,10,13H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyGYIWESWUQSUKCV-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.08
Rot. Bonds8

About 3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide

3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 52703555) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID52703555
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C20H23N3O3/c1-3-10-21-20(26)16-7-5-8-17(12-16)22-13-19(25)23-18-9-4-6-15(11-18)14(2)24/h4-9,11-12,22H,3,10,13H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyGYIWESWUQSUKCV-UHFFFAOYSA-N
XLogP3.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811111
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
CID 54838865
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55898611
3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838782
3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54818247

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide (CID 52703555) is 3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of 3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is GYIWESWUQSUKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-10-21-20(26)16-7-5-8-17(12-16)22-13-19(25)23-18-9-4-6-15(11-18)14(2)24/h4-9,11-12,22H,3,10,13H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of 3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide?
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 52703555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).