3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate

C17H16NO4- — CID 4176095

IUPAC3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate
SMILESCOc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2C)cc1
InChIInChI=1S/C17H17NO4/c1-11-14(17(20)21)4-3-5-15(11)18-16(19)10-12-6-8-13(22-2)9-7-12/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)/p-1
InChIKeyCJWQGASYHQDZIX-UHFFFAOYSA-M
MW298.32 g/mol
LogP1.55
Rot. Bonds5

About 3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate

3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate (PubChem CID 4176095) has the molecular formula C17H16NO4- and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate
PubChem CID4176095
Molecular FormulaC17H16NO4-
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate
SMILESCOc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2C)cc1
InChIInChI=1S/C17H17NO4/c1-11-14(17(20)21)4-3-5-15(11)18-16(19)10-12-6-8-13(22-2)9-7-12/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)/p-1
InChIKeyCJWQGASYHQDZIX-UHFFFAOYSA-M
XLogP1.55
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 23354625
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
CID 891449
3-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylbenzoate
CID 6957833
2-[(4-methoxyphenyl)methylamino]benzoate
CID 3280708
ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate
CID 28634215
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556272
3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid
CID 974933
N-(2-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 890877
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 833416
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 47089557
2-(4-methoxyphenyl)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17097941

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate?
The IUPAC name of 3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate (CID 4176095) is 3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate is COc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2C)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate?
The InChIKey is CJWQGASYHQDZIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17NO4/c1-11-14(17(20)21)4-3-5-15(11)18-16(19)10-12-6-8-13(22-2)9-7-12/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)/p-1.
What are the key properties of 3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate?
3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate has a molecular weight of 298.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate is sourced from PubChem (CID 4176095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).