2-[[(2S)-2-phenoxybutanoyl]amino]benzamide

C17H18N2O3 — CID 898266

IUPAC2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C17H18N2O3/c1-2-15(22-12-8-4-3-5-9-12)17(21)19-14-11-7-6-10-13(14)16(18)20/h3-11,15H,2H2,1H3,(H2,18,20)(H,19,21)/t15-/m0/s1
InChIKeyGOMVJXJPIOTSAW-HNNXBMFYSA-N
MW298.34 g/mol
LogP2.58
Rot. Bonds6

About 2-[[(2S)-2-phenoxybutanoyl]amino]benzamide

2-[[(2S)-2-phenoxybutanoyl]amino]benzamide (PubChem CID 898266) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[[(2S)-2-phenoxybutanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
PubChem CID898266
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C17H18N2O3/c1-2-15(22-12-8-4-3-5-9-12)17(21)19-14-11-7-6-10-13(14)16(18)20/h3-11,15H,2H2,1H3,(H2,18,20)(H,19,21)/t15-/m0/s1
InChIKeyGOMVJXJPIOTSAW-HNNXBMFYSA-N
XLogP2.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43906030
2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide
CID 99133167
2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 92675284
2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 99133293
[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233387
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
2-[2-(2-chlorophenoxy)butanoylamino]benzamide
CID 53284900
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide
CID 966418
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide
CID 53284491

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-phenoxybutanoyl]amino]benzamide?
The IUPAC name of 2-[[(2S)-2-phenoxybutanoyl]amino]benzamide (CID 898266) is 2-[[(2S)-2-phenoxybutanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2S)-2-phenoxybutanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2S)-2-phenoxybutanoyl]amino]benzamide is CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(2S)-2-phenoxybutanoyl]amino]benzamide?
The InChIKey is GOMVJXJPIOTSAW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-15(22-12-8-4-3-5-9-12)17(21)19-14-11-7-6-10-13(14)16(18)20/h3-11,15H,2H2,1H3,(H2,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2-phenoxybutanoyl]amino]benzamide?
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-phenoxybutanoyl]amino]benzamide is sourced from PubChem (CID 898266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).