2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid

C17H17NO4 — CID 43823093

IUPAC2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid
SMILESCOc1cccc(CC(=O)Nc2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C17H17NO4/c1-11-6-7-15(14(8-11)17(20)21)18-16(19)10-12-4-3-5-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyCWNHDSDOKOGLRH-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.88
Rot. Bonds5

About 2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid

2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid (PubChem CID 43823093) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid
PubChem CID43823093
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid
SMILESCOc1cccc(CC(=O)Nc2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C17H17NO4/c1-11-6-7-15(14(8-11)17(20)21)18-16(19)10-12-4-3-5-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyCWNHDSDOKOGLRH-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
CID 578470
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059
N-(4-amino-2,5-dimethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 103144419
N-(5-chloro-2-methylphenyl)-2-(3-methoxyphenyl)acetamide
CID 3576472
N-(4-bromo-2-ethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 80997985
N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide
CID 86857974
4-[[2-(3-methoxyphenyl)acetyl]amino]-N,3-dimethylbenzamide
CID 46465025
1-(2-bromo-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81110990
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
3-[(3-methoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059607
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-5-methylbenzoic acid
CID 171703682

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid (CID 43823093) is 2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid is COc1cccc(CC(=O)Nc2ccc(C)cc2C(=O)O)c1.
What is the InChIKey of 2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid?
The InChIKey is CWNHDSDOKOGLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-6-7-15(14(8-11)17(20)21)18-16(19)10-12-4-3-5-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid?
2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 43823093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).