3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide

C18H21N3O2 — CID 54842293

IUPAC3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
SMILESCC(C)c1ccccc1NC(=O)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C18H21N3O2/c1-12(2)15-8-3-4-9-16(15)21-17(22)11-20-14-7-5-6-13(10-14)18(19)23/h3-10,12,20H,11H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyPATAWOVWAYLAII-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.96
Rot. Bonds6

About 3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide

3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide (PubChem CID 54842293) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
PubChem CID54842293
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
SMILESCC(C)c1ccccc1NC(=O)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C18H21N3O2/c1-12(2)15-8-3-4-9-16(15)21-17(22)11-20-14-7-5-6-13(10-14)18(19)23/h3-10,12,20H,11H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyPATAWOVWAYLAII-UHFFFAOYSA-N
XLogP2.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide 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

2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 18096583
2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
CID 54842453
2-(naphthalen-2-ylamino)-N-(2-propan-2-ylphenyl)acetamide
CID 26506452
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256
3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842326
2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 54829653
N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide
CID 54841082
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54837162
N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
CID 54823438
2-[[2-[3-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840518
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54842558

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide?
The IUPAC name of 3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide (CID 54842293) is 3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide.
What is the SMILES notation for 3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide?
The canonical SMILES for 3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide is CC(C)c1ccccc1NC(=O)CNc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide?
The InChIKey is PATAWOVWAYLAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(2)15-8-3-4-9-16(15)21-17(22)11-20-14-7-5-6-13(10-14)18(19)23/h3-10,12,20H,11H2,1-2H3,(H2,19,23)(H,21,22).
What are the key properties of 3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide?
3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54842293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).