2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide

C19H22N2O3 — CID 46772808

IUPAC2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H22N2O3/c1-4-16(24-17-11-12(2)9-10-13(17)3)19(23)21-15-8-6-5-7-14(15)18(20)22/h5-11,16H,4H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyWQQDKDAWFZLLLL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.20
Rot. Bonds6

About 2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide

2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide (PubChem CID 46772808) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
PubChem CID46772808
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H22N2O3/c1-4-16(24-17-11-12(2)9-10-13(17)3)19(23)21-15-8-6-5-7-14(15)18(20)22/h5-11,16H,4H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyWQQDKDAWFZLLLL-UHFFFAOYSA-N
XLogP3.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,5-dimethylphenoxy)butanoylamino]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-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 94020116
3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide
CID 53284293
N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 132760463
ethyl 3-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 92674298
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 99133293
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 94012214
2-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-prop-2-enylbenzamide
CID 94019550
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
(2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 28570801
2-[2-(2-chlorophenoxy)butanoylamino]benzamide
CID 53284900
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide?
The IUPAC name of 2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide (CID 46772808) is 2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide.
What is the SMILES notation for 2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide?
The canonical SMILES for 2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide is CCC(Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide?
The InChIKey is WQQDKDAWFZLLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-16(24-17-11-12(2)9-10-13(17)3)19(23)21-15-8-6-5-7-14(15)18(20)22/h5-11,16H,4H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide?
2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide is sourced from PubChem (CID 46772808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).