2-[methyl(3-phenylpropanoyl)amino]benzoic acid

C17H17NO3 — CID 10540941

IUPAC2-[methyl(3-phenylpropanoyl)amino]benzoic acid
SMILESCN(C(=O)CCc1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C17H17NO3/c1-18(15-10-6-5-9-14(15)17(20)21)16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyAPLMLPAZZRMWPT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.98
Rot. Bonds5

About 2-[methyl(3-phenylpropanoyl)amino]benzoic acid

2-[methyl(3-phenylpropanoyl)amino]benzoic acid (PubChem CID 10540941) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[methyl(3-phenylpropanoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl(3-phenylpropanoyl)amino]benzoic acid
PubChem CID10540941
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-[methyl(3-phenylpropanoyl)amino]benzoic acid
SMILESCN(C(=O)CCc1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C17H17NO3/c1-18(15-10-6-5-9-14(15)17(20)21)16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyAPLMLPAZZRMWPT-UHFFFAOYSA-N
XLogP2.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-phenylpropanoyl)amino]benzoic acid?
The IUPAC name of 2-[methyl(3-phenylpropanoyl)amino]benzoic acid (CID 10540941) is 2-[methyl(3-phenylpropanoyl)amino]benzoic acid.
What is the SMILES notation for 2-[methyl(3-phenylpropanoyl)amino]benzoic acid?
The canonical SMILES for 2-[methyl(3-phenylpropanoyl)amino]benzoic acid is CN(C(=O)CCc1ccccc1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl(3-phenylpropanoyl)amino]benzoic acid?
The InChIKey is APLMLPAZZRMWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18(15-10-6-5-9-14(15)17(20)21)16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of 2-[methyl(3-phenylpropanoyl)amino]benzoic acid?
2-[methyl(3-phenylpropanoyl)amino]benzoic acid has a molecular weight of 283.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-phenylpropanoyl)amino]benzoic acid is sourced from PubChem (CID 10540941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).