3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide

C19H22N2O4 — CID 53284491

IUPAC3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)Nc1cccc(C(N)=O)c1C
InChIInChI=1S/C19H22N2O4/c1-4-17(25-14-8-5-7-13(11-14)24-3)19(23)21-16-10-6-9-15(12(16)2)18(20)22/h5-11,17H,4H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyRQMDHVZCDGWSIL-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.90
Rot. Bonds7

About 3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide

3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide (PubChem CID 53284491) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide
PubChem CID53284491
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)Nc1cccc(C(N)=O)c1C
InChIInChI=1S/C19H22N2O4/c1-4-17(25-14-8-5-7-13(11-14)24-3)19(23)21-16-10-6-9-15(12(16)2)18(20)22/h5-11,17H,4H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyRQMDHVZCDGWSIL-UHFFFAOYSA-N
XLogP2.90
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide
CID 93488485
ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate
CID 30391174
3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide
CID 53284293
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 92680298
2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 99133293
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034276
methyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 94013322
2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 43909267
3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide
CID 53281948
2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 92675284

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide?
The IUPAC name of 3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide (CID 53284491) is 3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide?
The canonical SMILES for 3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide is CCC(Oc1cccc(OC)c1)C(=O)Nc1cccc(C(N)=O)c1C.
What is the InChIKey of 3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide?
The InChIKey is RQMDHVZCDGWSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-17(25-14-8-5-7-13(11-14)24-3)19(23)21-16-10-6-9-15(12(16)2)18(20)22/h5-11,17H,4H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide?
3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide has a molecular weight of 342.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide is sourced from PubChem (CID 53284491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).