2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid

C23H21NO4 — CID 67342372

IUPAC2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid
SMILESO=C(COc1ccccc1)Nc1cc(CCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C23H21NO4/c25-22(16-28-19-9-5-2-6-10-19)24-21-15-18(13-14-20(21)23(26)27)12-11-17-7-3-1-4-8-17/h1-10,13-15H,11-12,16H2,(H,24,25)(H,26,27)
InChIKeyKODDYGKMKHXHRM-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.19
Rot. Bonds8

About 2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid

2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid (PubChem CID 67342372) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid.

Molecular Properties

Compound Name2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid
PubChem CID67342372
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid
SMILESO=C(COc1ccccc1)Nc1cc(CCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C23H21NO4/c25-22(16-28-19-9-5-2-6-10-19)24-21-15-18(13-14-20(21)23(26)27)12-11-17-7-3-1-4-8-17/h1-10,13-15H,11-12,16H2,(H,24,25)(H,26,27)
InChIKeyKODDYGKMKHXHRM-UHFFFAOYSA-N
XLogP4.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid
CID 100977124
2-[(2-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67344362
2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid
CID 108741660
2-benzamido-4-(phenoxymethyl)benzoic acid
CID 69330554
5-[[3-formyl-4-[(2-phenoxyacetyl)amino]phenyl]methyl]-2-[(2-phenoxyacetyl)amino]benzoic acid
CID 89242167
2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid
CID 11302225
4-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzoic acid
CID 67344551
4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid
CID 2194379
N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
CID 114299206
2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67343164
2-(1,3-benzothiazole-2-carbonylamino)-4-(2-phenylethyl)benzoic acid
CID 67342631
2-(2-methylanilino)-4-(2-phenylethyl)benzoic acid
CID 68963998

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid?
The IUPAC name of 2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid (CID 67342372) is 2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid.
What is the SMILES notation for 2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid?
The canonical SMILES for 2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid is O=C(COc1ccccc1)Nc1cc(CCc2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid?
The InChIKey is KODDYGKMKHXHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c25-22(16-28-19-9-5-2-6-10-19)24-21-15-18(13-14-20(21)23(26)27)12-11-17-7-3-1-4-8-17/h1-10,13-15H,11-12,16H2,(H,24,25)(H,26,27).
What are the key properties of 2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid?
2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid has a molecular weight of 375.42 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid is sourced from PubChem (CID 67342372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).