N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide

C21H26N2O3 — CID 17196875

IUPACN-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)COc2ccc(C)cc2C)c1
InChIInChI=1S/C21H26N2O3/c1-4-5-11-22-21(25)17-7-6-8-18(13-17)23-20(24)14-26-19-10-9-15(2)12-16(19)3/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyOAOWWALBBJUYMH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.85
Rot. Bonds8

About N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide

N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide (PubChem CID 17196875) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
PubChem CID17196875
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)COc2ccc(C)cc2C)c1
InChIInChI=1S/C21H26N2O3/c1-4-5-11-22-21(25)17-7-6-8-18(13-17)23-20(24)14-26-19-10-9-15(2)12-16(19)3/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyOAOWWALBBJUYMH-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]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

N-butyl-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17196871
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222636
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 17196920
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218964
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230671
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
3-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17197070

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide (CID 17196875) is N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide is CCCCNC(=O)c1cccc(NC(=O)COc2ccc(C)cc2C)c1.
What is the InChIKey of N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide?
The InChIKey is OAOWWALBBJUYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-11-22-21(25)17-7-6-8-18(13-17)23-20(24)14-26-19-10-9-15(2)12-16(19)3/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide?
N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17196875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).