3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide

C20H23N3O3 — CID 86991520

IUPAC3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2ccc(C)c(NC(C)=O)c2)c1
InChIInChI=1S/C20H23N3O3/c1-4-10-21-19(25)15-6-5-7-17(11-15)23-20(26)16-9-8-13(2)18(12-16)22-14(3)24/h5-9,11-12H,4,10H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyIIWPNLNCEPMFDM-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.35
Rot. Bonds6

About 3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide

3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide (PubChem CID 86991520) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
PubChem CID86991520
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2ccc(C)c(NC(C)=O)c2)c1
InChIInChI=1S/C20H23N3O3/c1-4-10-21-19(25)15-6-5-7-17(11-15)23-20(26)16-9-8-13(2)18(12-16)22-14(3)24/h5-9,11-12H,4,10H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyIIWPNLNCEPMFDM-UHFFFAOYSA-N
XLogP3.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]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

3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050442
3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
CID 39185194
3-(carbamothioylamino)-4-methyl-N-propylbenzamide
CID 169356590
3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide
CID 131913633
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide (CID 86991520) is 3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1cccc(NC(=O)c2ccc(C)c(NC(C)=O)c2)c1.
What is the InChIKey of 3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is IIWPNLNCEPMFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-10-21-19(25)15-6-5-7-17(11-15)23-20(26)16-9-8-13(2)18(12-16)22-14(3)24/h5-9,11-12H,4,10H2,1-3H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of 3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide?
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 86991520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).