5-methyl-2-(2-phenoxypropanoylamino)benzoic acid

C17H17NO4 — CID 2925600

IUPAC5-methyl-2-(2-phenoxypropanoylamino)benzoic acid
SMILESCc1ccc(NC(=O)C(C)Oc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C17H17NO4/c1-11-8-9-15(14(10-11)17(20)21)18-16(19)12(2)22-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)(H,20,21)
InChIKeyOKEMATOQIHQYJW-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.10
Rot. Bonds5

About 5-methyl-2-(2-phenoxypropanoylamino)benzoic acid

5-methyl-2-(2-phenoxypropanoylamino)benzoic acid (PubChem CID 2925600) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-methyl-2-(2-phenoxypropanoylamino)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(2-phenoxypropanoylamino)benzoic acid
PubChem CID2925600
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name5-methyl-2-(2-phenoxypropanoylamino)benzoic acid
SMILESCc1ccc(NC(=O)C(C)Oc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C17H17NO4/c1-11-8-9-15(14(10-11)17(20)21)18-16(19)12(2)22-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)(H,20,21)
InChIKeyOKEMATOQIHQYJW-UHFFFAOYSA-N
XLogP3.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
CID 2253744
N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 2969056
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4944520
2-[(2,2-dichloroacetyl)amino]-5-methylbenzoic acid
CID 110465836

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-phenoxypropanoylamino)benzoic acid?
The IUPAC name of 5-methyl-2-(2-phenoxypropanoylamino)benzoic acid (CID 2925600) is 5-methyl-2-(2-phenoxypropanoylamino)benzoic acid.
What is the SMILES notation for 5-methyl-2-(2-phenoxypropanoylamino)benzoic acid?
The canonical SMILES for 5-methyl-2-(2-phenoxypropanoylamino)benzoic acid is Cc1ccc(NC(=O)C(C)Oc2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(2-phenoxypropanoylamino)benzoic acid?
The InChIKey is OKEMATOQIHQYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-8-9-15(14(10-11)17(20)21)18-16(19)12(2)22-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-methyl-2-(2-phenoxypropanoylamino)benzoic acid?
5-methyl-2-(2-phenoxypropanoylamino)benzoic acid has a molecular weight of 299.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-phenoxypropanoylamino)benzoic acid is sourced from PubChem (CID 2925600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).