4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide

C21H26N4O3 — CID 121062388

IUPAC4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H26N4O3/c1-4-19(26)22-11-12-23-20(27)16-7-9-17(10-8-16)24-21(28)25-18-13-14(2)5-6-15(18)3/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyDKCONHGEDIOAFU-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.20
Rot. Bonds7

About 4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide

4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide (PubChem CID 121062388) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
PubChem CID121062388
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H26N4O3/c1-4-19(26)22-11-12-23-20(27)16-7-9-17(10-8-16)24-21(28)25-18-13-14(2)5-6-15(18)3/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyDKCONHGEDIOAFU-UHFFFAOYSA-N
XLogP3.20
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]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

N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062389
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063287
4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062320
N-(2,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309132
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298
3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
CID 108542747
N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide
CID 121062212
1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 168974118
N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844769
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062271

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide (CID 121062388) is 4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide is CCC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide?
The InChIKey is DKCONHGEDIOAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-19(26)22-11-12-23-20(27)16-7-9-17(10-8-16)24-21(28)25-18-13-14(2)5-6-15(18)3/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)(H,23,27)(H2,24,25,28).
What are the key properties of 4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide?
4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide is sourced from PubChem (CID 121062388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).