2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide

C19H22N2O3 — CID 99133167

IUPAC2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide
SMILESCCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C19H22N2O3/c1-3-13-9-11-14(12-10-13)24-17(4-2)19(23)21-16-8-6-5-7-15(16)18(20)22/h5-12,17H,3-4H2,1-2H3,(H2,20,22)(H,21,23)/t17-/m0/s1
InChIKeyXZOBASXWEPHUFL-KRWDZBQOSA-N
MW326.40 g/mol
LogP3.14
Rot. Bonds7

About 2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide

2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide (PubChem CID 99133167) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide
PubChem CID99133167
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide
SMILESCCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C19H22N2O3/c1-3-13-9-11-14(12-10-13)24-17(4-2)19(23)21-16-8-6-5-7-15(16)18(20)22/h5-12,17H,3-4H2,1-2H3,(H2,20,22)(H,21,23)/t17-/m0/s1
InChIKeyXZOBASXWEPHUFL-KRWDZBQOSA-N
XLogP3.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate
CID 132652180
2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43906030
2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 92675284
2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 99133293
2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 132657490
2-(4-ethylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 53288679
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
2-[2-(2-chlorophenoxy)butanoylamino]benzamide
CID 53284900
[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233387
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
CID 46772808

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide?
The IUPAC name of 2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide (CID 99133167) is 2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide is CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide?
The InChIKey is XZOBASXWEPHUFL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-13-9-11-14(12-10-13)24-17(4-2)19(23)21-16-8-6-5-7-15(16)18(20)22/h5-12,17H,3-4H2,1-2H3,(H2,20,22)(H,21,23)/t17-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide?
2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide is sourced from PubChem (CID 99133167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).