3-[(2-phenylmethoxyacetyl)amino]benzoic acid

C16H15NO4 — CID 43238383

IUPAC3-[(2-phenylmethoxyacetyl)amino]benzoic acid
SMILESO=C(COCc1ccccc1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H15NO4/c18-15(11-21-10-12-5-2-1-3-6-12)17-14-8-4-7-13(9-14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyLUDVWHIDZDNKDJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.54
Rot. Bonds6

About 3-[(2-phenylmethoxyacetyl)amino]benzoic acid

3-[(2-phenylmethoxyacetyl)amino]benzoic acid (PubChem CID 43238383) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[(2-phenylmethoxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-phenylmethoxyacetyl)amino]benzoic acid
PubChem CID43238383
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-[(2-phenylmethoxyacetyl)amino]benzoic acid
SMILESO=C(COCc1ccccc1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H15NO4/c18-15(11-21-10-12-5-2-1-3-6-12)17-14-8-4-7-13(9-14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyLUDVWHIDZDNKDJ-UHFFFAOYSA-N
XLogP2.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-phenylmethoxypropanoylamino)benzoic acid
CID 150361696
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
4-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 14054017
N-(3-ethylphenyl)-2-phenylmethoxyacetamide;2-methyl-N-propylpropan-2-amine
CID 70392482
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067
N-(2-anilinophenyl)-2-phenylmethoxyacetamide
CID 112770108
N-ethylbutan-1-amine;N-(3-ethylphenyl)-2-phenylmethoxyacetamide
CID 70392592
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022
3-[(2-chloroacetyl)amino]benzoic acid;hydrochloride
CID 67825046
3-(3-benzylsulfanylpropanoylamino)benzoic acid
CID 21233262
2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide
CID 43429566
3-(3-ethoxypropanoylamino)benzoic acid
CID 55023446

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylmethoxyacetyl)amino]benzoic acid?
The IUPAC name of 3-[(2-phenylmethoxyacetyl)amino]benzoic acid (CID 43238383) is 3-[(2-phenylmethoxyacetyl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-phenylmethoxyacetyl)amino]benzoic acid?
The canonical SMILES for 3-[(2-phenylmethoxyacetyl)amino]benzoic acid is O=C(COCc1ccccc1)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-phenylmethoxyacetyl)amino]benzoic acid?
The InChIKey is LUDVWHIDZDNKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-15(11-21-10-12-5-2-1-3-6-12)17-14-8-4-7-13(9-14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-phenylmethoxyacetyl)amino]benzoic acid?
3-[(2-phenylmethoxyacetyl)amino]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylmethoxyacetyl)amino]benzoic acid is sourced from PubChem (CID 43238383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).