4-(3-phenylpropanoylamino)benzoic acid

C16H15NO3 — CID 10492186

IUPAC4-(3-phenylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccccc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15NO3/c18-15(11-6-12-4-2-1-3-5-12)17-14-9-7-13(8-10-14)16(19)20/h1-5,7-10H,6,11H2,(H,17,18)(H,19,20)
InChIKeyJAYKXFVTOZFBLJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.96
Rot. Bonds5

About 4-(3-phenylpropanoylamino)benzoic acid

4-(3-phenylpropanoylamino)benzoic acid (PubChem CID 10492186) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(3-phenylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name4-(3-phenylpropanoylamino)benzoic acid
PubChem CID10492186
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-(3-phenylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccccc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15NO3/c18-15(11-6-12-4-2-1-3-5-12)17-14-9-7-13(8-10-14)16(19)20/h1-5,7-10H,6,11H2,(H,17,18)(H,19,20)
InChIKeyJAYKXFVTOZFBLJ-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-phenylpropanoylamino)benzamide
CID 675903
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide
CID 172856727
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
4-[3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropyl]benzoic acid
CID 119180032
N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
CID 17201204
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropanoylamino)benzoic acid?
The IUPAC name of 4-(3-phenylpropanoylamino)benzoic acid (CID 10492186) is 4-(3-phenylpropanoylamino)benzoic acid.
What is the SMILES notation for 4-(3-phenylpropanoylamino)benzoic acid?
The canonical SMILES for 4-(3-phenylpropanoylamino)benzoic acid is O=C(CCc1ccccc1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(3-phenylpropanoylamino)benzoic acid?
The InChIKey is JAYKXFVTOZFBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(11-6-12-4-2-1-3-5-12)17-14-9-7-13(8-10-14)16(19)20/h1-5,7-10H,6,11H2,(H,17,18)(H,19,20).
What are the key properties of 4-(3-phenylpropanoylamino)benzoic acid?
4-(3-phenylpropanoylamino)benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropanoylamino)benzoic acid is sourced from PubChem (CID 10492186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).