2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide

C19H22N2O3 — CID 53284462

IUPAC2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H22N2O3/c1-4-16(24-17-11-7-8-12(2)13(17)3)19(23)21-15-10-6-5-9-14(15)18(20)22/h5-11,16H,4H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyDRWMXGHFXVPTMJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.20
Rot. Bonds6

About 2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide

2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide (PubChem CID 53284462) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide.

Molecular Properties

Compound Name2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
PubChem CID53284462
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H22N2O3/c1-4-16(24-17-11-7-8-12(2)13(17)3)19(23)21-15-10-6-5-9-14(15)18(20)22/h5-11,16H,4H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyDRWMXGHFXVPTMJ-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

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Related Compounds

2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide
CID 92674701
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 28577689
2-[2-(2-chlorophenoxy)butanoylamino]benzamide
CID 53284900
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 94020116
2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
CID 46772808
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 38004411
2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38007685
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885937
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide?
The IUPAC name of 2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide (CID 53284462) is 2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide.
What is the SMILES notation for 2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide?
The canonical SMILES for 2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide is CCC(Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide?
The InChIKey is DRWMXGHFXVPTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-16(24-17-11-7-8-12(2)13(17)3)19(23)21-15-10-6-5-9-14(15)18(20)22/h5-11,16H,4H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide?
2-[2-(2,3-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-(2,3-dimethylphenoxy)butanoylamino]benzamide is sourced from PubChem (CID 53284462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).