3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide

C18H20N4O3 — CID 39185194

IUPAC3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CN)c2)c1
InChIInChI=1S/C18H20N4O3/c1-11-6-7-15(9-16(11)22-17(24)10-19)21-18(25)13-4-3-5-14(8-13)20-12(2)23/h3-9H,10,19H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyKLDNMZFHPSVFDQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.10
Rot. Bonds5

About 3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide

3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide (PubChem CID 39185194) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
PubChem CID39185194
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CN)c2)c1
InChIInChI=1S/C18H20N4O3/c1-11-6-7-15(9-16(11)22-17(24)10-19)21-18(25)13-4-3-5-14(8-13)20-12(2)23/h3-9H,10,19H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyKLDNMZFHPSVFDQ-UHFFFAOYSA-N
XLogP2.10
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]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-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243
3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide
CID 82034507
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide
CID 46761087

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide?
The IUPAC name of 3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide (CID 39185194) is 3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CN)c2)c1.
What is the InChIKey of 3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide?
The InChIKey is KLDNMZFHPSVFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-6-7-15(9-16(11)22-17(24)10-19)21-18(25)13-4-3-5-14(8-13)20-12(2)23/h3-9H,10,19H2,1-2H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of 3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide?
3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide is sourced from PubChem (CID 39185194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).