4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid

C17H17NO3 — CID 104698086

IUPAC4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1cccc(CC(=O)N(C)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C17H17NO3/c1-12-4-3-5-13(10-12)11-16(19)18(2)15-8-6-14(7-9-15)17(20)21/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyNEEMZOZSNSRRTM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.90
Rot. Bonds4

About 4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid

4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid (PubChem CID 104698086) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid
PubChem CID104698086
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1cccc(CC(=O)N(C)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C17H17NO3/c1-12-4-3-5-13(10-12)11-16(19)18(2)15-8-6-14(7-9-15)17(20)21/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyNEEMZOZSNSRRTM-UHFFFAOYSA-N
XLogP2.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62626750
N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 57214135
2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79397623
N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide
CID 28755638
4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid
CID 104698060
3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid
CID 57069223
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-[4-(aminomethyl)phenyl]-N-methyl-N-(4-methylphenyl)acetamide
CID 63590516
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
4-[(3-methylphenyl)methylsulfonyl]benzoic acid
CID 24710637

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid (CID 104698086) is 4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid is Cc1cccc(CC(=O)N(C)c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid?
The InChIKey is NEEMZOZSNSRRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-4-3-5-13(10-12)11-16(19)18(2)15-8-6-14(7-9-15)17(20)21/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid?
4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid has a molecular weight of 283.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 104698086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).