3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide

C20H24N2O3 — CID 53284293

IUPAC3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)Nc1cccc(C(N)=O)c1C
InChIInChI=1S/C20H24N2O3/c1-5-17(25-18-11-12(2)9-10-13(18)3)20(24)22-16-8-6-7-15(14(16)4)19(21)23/h6-11,17H,5H2,1-4H3,(H2,21,23)(H,22,24)
InChIKeyZZOFRUGEPVHGHW-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.51
Rot. Bonds6

About 3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide

3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide (PubChem CID 53284293) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide
PubChem CID53284293
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)Nc1cccc(C(N)=O)c1C
InChIInChI=1S/C20H24N2O3/c1-5-17(25-18-11-12(2)9-10-13(18)3)20(24)22-16-8-6-7-15(14(16)4)19(21)23/h6-11,17H,5H2,1-4H3,(H2,21,23)(H,22,24)
InChIKeyZZOFRUGEPVHGHW-UHFFFAOYSA-N
XLogP3.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide 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-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 94020116
2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
CID 46772808
ethyl 3-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 92674298
3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide
CID 53284491
N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 132760463
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
ethyl 3-[2-(2,5-dimethylphenoxy)propanoylamino]-2-methylbenzoate
CID 132653597
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
(2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 28570801
(2R)-2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 28635073
3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide
CID 95706566
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 94012214

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide?
The IUPAC name of 3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide (CID 53284293) is 3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide?
The canonical SMILES for 3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide is CCC(Oc1cc(C)ccc1C)C(=O)Nc1cccc(C(N)=O)c1C.
What is the InChIKey of 3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide?
The InChIKey is ZZOFRUGEPVHGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-17(25-18-11-12(2)9-10-13(18)3)20(24)22-16-8-6-7-15(14(16)4)19(21)23/h6-11,17H,5H2,1-4H3,(H2,21,23)(H,22,24).
What are the key properties of 3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide?
3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide is sourced from PubChem (CID 53284293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).