2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide

C19H22N2O3 — CID 99133293

IUPAC2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
SMILESCC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H22N2O3/c1-4-17(24-14-10-12(2)9-13(3)11-14)19(23)21-16-8-6-5-7-15(16)18(20)22/h5-11,17H,4H2,1-3H3,(H2,20,22)(H,21,23)/t17-/m0/s1
InChIKeyKZHPRSFVSLGVDA-KRWDZBQOSA-N
MW326.40 g/mol
LogP3.20
Rot. Bonds6

About 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide

2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide (PubChem CID 99133293) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
PubChem CID99133293
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
SMILESCC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H22N2O3/c1-4-17(24-14-10-12(2)9-13(3)11-14)19(23)21-16-8-6-5-7-15(16)18(20)22/h5-11,17H,4H2,1-3H3,(H2,20,22)(H,21,23)/t17-/m0/s1
InChIKeyKZHPRSFVSLGVDA-KRWDZBQOSA-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

ethyl 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzoate
CID 42083002
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 92675284
N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657473
N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657650
2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide
CID 99133167
2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43906030
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 94020116
2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
CID 46772808
ethyl 2-[[(2S)-2-(3-methylphenoxy)butanoyl]amino]benzoate
CID 92676557
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide?
The IUPAC name of 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide (CID 99133293) is 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide is CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide?
The InChIKey is KZHPRSFVSLGVDA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-17(24-14-10-12(2)9-13(3)11-14)19(23)21-16-8-6-5-7-15(16)18(20)22/h5-11,17H,4H2,1-3H3,(H2,20,22)(H,21,23)/t17-/m0/s1.
What are the key properties of 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide?
2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]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-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide is sourced from PubChem (CID 99133293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).