methyl 2-(2-phenylpropanoylamino)benzoate

C17H17NO3 — CID 68817246

IUPACmethyl 2-(2-phenylpropanoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-12(13-8-4-3-5-9-13)16(19)18-15-11-7-6-10-14(15)17(20)21-2/h3-12H,1-2H3,(H,18,19)
InChIKeyWSOLTDVWWYWPOQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.22
Rot. Bonds4

About methyl 2-(2-phenylpropanoylamino)benzoate

methyl 2-(2-phenylpropanoylamino)benzoate (PubChem CID 68817246) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 2-(2-phenylpropanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-phenylpropanoylamino)benzoate
PubChem CID68817246
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-(2-phenylpropanoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-12(13-8-4-3-5-9-13)16(19)18-15-11-7-6-10-14(15)17(20)21-2/h3-12H,1-2H3,(H,18,19)
InChIKeyWSOLTDVWWYWPOQ-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate
CID 10493506
methyl 4,5-dichloro-2-(2-phenylpropanoylamino)benzoate
CID 68815872
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
methyl 2-(2-acetyloxypropanoylamino)benzoate
CID 23255845
methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate
CID 129389746
methyl 2-(2-methylpentanoylamino)benzoate
CID 2904418
methyl 2-[[2-(2-bromopropanoylamino)benzoyl]amino]benzoate
CID 11761289
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate
CID 108768055
2-[2-(3,5-dihydroxyphenyl)propanoylamino]benzoic acid
CID 175832726
methyl 2-[(2-amino-3,3-dimethylbutanoyl)amino]benzoate
CID 76893535
methyl 2-[[(2S)-2-bromobutanoyl]amino]benzoate
CID 92864132

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylpropanoylamino)benzoate?
The IUPAC name of methyl 2-(2-phenylpropanoylamino)benzoate (CID 68817246) is methyl 2-(2-phenylpropanoylamino)benzoate.
What is the SMILES notation for methyl 2-(2-phenylpropanoylamino)benzoate?
The canonical SMILES for methyl 2-(2-phenylpropanoylamino)benzoate is COC(=O)c1ccccc1NC(=O)C(C)c1ccccc1.
What is the InChIKey of methyl 2-(2-phenylpropanoylamino)benzoate?
The InChIKey is WSOLTDVWWYWPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(13-8-4-3-5-9-13)16(19)18-15-11-7-6-10-14(15)17(20)21-2/h3-12H,1-2H3,(H,18,19).
What are the key properties of methyl 2-(2-phenylpropanoylamino)benzoate?
methyl 2-(2-phenylpropanoylamino)benzoate has a molecular weight of 283.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylpropanoylamino)benzoate is sourced from PubChem (CID 68817246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).