4-[acetyl(benzyl)amino]benzoic acid

C16H15NO3 — CID 660409

IUPAC4-[acetyl(benzyl)amino]benzoic acid
SMILESCC(=O)N(Cc1ccccc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15NO3/c1-12(18)17(11-13-5-3-2-4-6-13)15-9-7-14(8-10-15)16(19)20/h2-10H,11H2,1H3,(H,19,20)
InChIKeyPHJMLZLNOJXKOC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.94
Rot. Bonds4

About 4-[acetyl(benzyl)amino]benzoic acid

4-[acetyl(benzyl)amino]benzoic acid (PubChem CID 660409) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[acetyl(benzyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[acetyl(benzyl)amino]benzoic acid
PubChem CID660409
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-[acetyl(benzyl)amino]benzoic acid
SMILESCC(=O)N(Cc1ccccc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15NO3/c1-12(18)17(11-13-5-3-2-4-6-13)15-9-7-14(8-10-15)16(19)20/h2-10H,11H2,1H3,(H,19,20)
InChIKeyPHJMLZLNOJXKOC-UHFFFAOYSA-N
XLogP2.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(benzyl)amino]benzoic acid?
The IUPAC name of 4-[acetyl(benzyl)amino]benzoic acid (CID 660409) is 4-[acetyl(benzyl)amino]benzoic acid.
What is the SMILES notation for 4-[acetyl(benzyl)amino]benzoic acid?
The canonical SMILES for 4-[acetyl(benzyl)amino]benzoic acid is CC(=O)N(Cc1ccccc1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[acetyl(benzyl)amino]benzoic acid?
The InChIKey is PHJMLZLNOJXKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-12(18)17(11-13-5-3-2-4-6-13)15-9-7-14(8-10-15)16(19)20/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 4-[acetyl(benzyl)amino]benzoic acid?
4-[acetyl(benzyl)amino]benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(benzyl)amino]benzoic acid is sourced from PubChem (CID 660409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).