4-[(2-phenylmethoxyacetyl)amino]benzoic acid

C16H15NO4 — CID 14054017

IUPAC4-[(2-phenylmethoxyacetyl)amino]benzoic acid
SMILESO=C(COCc1ccccc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15NO4/c18-15(11-21-10-12-4-2-1-3-5-12)17-14-8-6-13(7-9-14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyCJGQTWBLWFBJDI-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.54
Rot. Bonds6

About 4-[(2-phenylmethoxyacetyl)amino]benzoic acid

4-[(2-phenylmethoxyacetyl)amino]benzoic acid (PubChem CID 14054017) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[(2-phenylmethoxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2-phenylmethoxyacetyl)amino]benzoic acid
PubChem CID14054017
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-[(2-phenylmethoxyacetyl)amino]benzoic acid
SMILESO=C(COCc1ccccc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15NO4/c18-15(11-21-10-12-4-2-1-3-5-12)17-14-8-6-13(7-9-14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyCJGQTWBLWFBJDI-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

N-phenyl-2-phenylmethoxyacetamide
CID 15220156
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067
3-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 43238383
(2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate
CID 24772586
4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid
CID 61327264
2-morpholin-4-yl-N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]acetamide
CID 55505106
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide
CID 43429566
N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 68753684
N-(2-anilinophenyl)-2-phenylmethoxyacetamide
CID 112770108
4-methyl-2-[[4-[(2-phenylmethoxyacetyl)amino]benzoyl]amino]hex-4-enoic acid
CID 123660243
4-[3-(benzenesulfonyl)propanoylamino]benzoic acid;4-[3-(benzenesulfonyl)propanoylamino]-2-hydroxybenzoic acid;2-hydroxy-4-(4-phenylbutanoylamino)benzoic acid;2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]benzoic acid;4-(4-phenylbutanoylamino)benzoic acid
CID 159363607

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylmethoxyacetyl)amino]benzoic acid?
The IUPAC name of 4-[(2-phenylmethoxyacetyl)amino]benzoic acid (CID 14054017) is 4-[(2-phenylmethoxyacetyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2-phenylmethoxyacetyl)amino]benzoic acid?
The canonical SMILES for 4-[(2-phenylmethoxyacetyl)amino]benzoic acid is O=C(COCc1ccccc1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-phenylmethoxyacetyl)amino]benzoic acid?
The InChIKey is CJGQTWBLWFBJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-15(11-21-10-12-4-2-1-3-5-12)17-14-8-6-13(7-9-14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20).
What are the key properties of 4-[(2-phenylmethoxyacetyl)amino]benzoic acid?
4-[(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 4-[(2-phenylmethoxyacetyl)amino]benzoic acid is sourced from PubChem (CID 14054017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).