2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid

C23H21NO5 — CID 2310232

IUPAC2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H21NO5/c1-28-18-13-11-17(12-14-18)15-24(21-10-6-5-9-20(21)23(26)27)22(25)16-29-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeyMVNYTDFJAGZLOV-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.01
Rot. Bonds8

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

2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid (PubChem CID 2310232) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid
PubChem CID2310232
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H21NO5/c1-28-18-13-11-17(12-14-18)15-24(21-10-6-5-9-20(21)23(26)27)22(25)16-29-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeyMVNYTDFJAGZLOV-UHFFFAOYSA-N
XLogP4.01
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(E)-benzylideneamino]oxyacetyl]-[(4-methoxyphenyl)methyl]amino]benzoic acid
CID 6899248
2-[(4-methoxyphenyl)methyl-(thiophene-2-carbonyl)amino]benzoic acid
CID 1034525
N-(4-methoxyphenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 110360620
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
(2S)-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100715965
2-(4-benzoylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 9202236
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 61418111
2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 110076846
2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate
CID 2311637
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133236716

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid (CID 2310232) is 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid is COc1ccc(CN(C(=O)COc2ccccc2)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid?
The InChIKey is MVNYTDFJAGZLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-28-18-13-11-17(12-14-18)15-24(21-10-6-5-9-20(21)23(26)27)22(25)16-29-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,26,27).
What are the key properties of 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid?
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid has a molecular weight of 391.42 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid is sourced from PubChem (CID 2310232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).