4-methyl-3-(3-phenylpropanoylamino)benzoic acid

C17H17NO3 — CID 1255346

IUPAC4-methyl-3-(3-phenylpropanoylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C17H17NO3/c1-12-7-9-14(17(20)21)11-15(12)18-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyQHDDLASQRVALIW-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.26
Rot. Bonds5

About 4-methyl-3-(3-phenylpropanoylamino)benzoic acid

4-methyl-3-(3-phenylpropanoylamino)benzoic acid (PubChem CID 1255346) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-methyl-3-(3-phenylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(3-phenylpropanoylamino)benzoic acid
PubChem CID1255346
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-methyl-3-(3-phenylpropanoylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C17H17NO3/c1-12-7-9-14(17(20)21)11-15(12)18-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyQHDDLASQRVALIW-UHFFFAOYSA-N
XLogP3.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-phenylpropanoylamino)benzoic acid?
The IUPAC name of 4-methyl-3-(3-phenylpropanoylamino)benzoic acid (CID 1255346) is 4-methyl-3-(3-phenylpropanoylamino)benzoic acid.
What is the SMILES notation for 4-methyl-3-(3-phenylpropanoylamino)benzoic acid?
The canonical SMILES for 4-methyl-3-(3-phenylpropanoylamino)benzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)CCc1ccccc1.
What is the InChIKey of 4-methyl-3-(3-phenylpropanoylamino)benzoic acid?
The InChIKey is QHDDLASQRVALIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-7-9-14(17(20)21)11-15(12)18-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-methyl-3-(3-phenylpropanoylamino)benzoic acid?
4-methyl-3-(3-phenylpropanoylamino)benzoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-phenylpropanoylamino)benzoic acid is sourced from PubChem (CID 1255346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).