methyl 4-(N-acetyl-2-methoxyanilino)benzoate

C17H17NO4 — CID 59092831

IUPACmethyl 4-(N-acetyl-2-methoxyanilino)benzoate
SMILESCOC(=O)c1ccc(N(C(C)=O)c2ccccc2OC)cc1
InChIInChI=1S/C17H17NO4/c1-12(19)18(15-6-4-5-7-16(15)21-2)14-10-8-13(9-11-14)17(20)22-3/h4-11H,1-3H3
InChIKeyKCXZPNMPEYCSEP-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.17
Rot. Bonds4

About methyl 4-(N-acetyl-2-methoxyanilino)benzoate

methyl 4-(N-acetyl-2-methoxyanilino)benzoate (PubChem CID 59092831) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 4-(N-acetyl-2-methoxyanilino)benzoate.

Molecular Properties

Compound Namemethyl 4-(N-acetyl-2-methoxyanilino)benzoate
PubChem CID59092831
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 4-(N-acetyl-2-methoxyanilino)benzoate
SMILESCOC(=O)c1ccc(N(C(C)=O)c2ccccc2OC)cc1
InChIInChI=1S/C17H17NO4/c1-12(19)18(15-6-4-5-7-16(15)21-2)14-10-8-13(9-11-14)17(20)22-3/h4-11H,1-3H3
InChIKeyKCXZPNMPEYCSEP-UHFFFAOYSA-N
XLogP3.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-N-phenylacetamide
CID 101328675
methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
N-(2-methoxyphenyl)acetohydrazide
CID 14966200
2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide
CID 175148764
N-(2-methoxyphenyl)-N-(2-pyridin-2-ylphenyl)acetamide
CID 134837208
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7478091
methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
N-(2-hydroxyphenyl)-N-phenylacetamide
CID 72942625

Frequently Asked Questions

What is the IUPAC name of methyl 4-(N-acetyl-2-methoxyanilino)benzoate?
The IUPAC name of methyl 4-(N-acetyl-2-methoxyanilino)benzoate (CID 59092831) is methyl 4-(N-acetyl-2-methoxyanilino)benzoate.
What is the SMILES notation for methyl 4-(N-acetyl-2-methoxyanilino)benzoate?
The canonical SMILES for methyl 4-(N-acetyl-2-methoxyanilino)benzoate is COC(=O)c1ccc(N(C(C)=O)c2ccccc2OC)cc1.
What is the InChIKey of methyl 4-(N-acetyl-2-methoxyanilino)benzoate?
The InChIKey is KCXZPNMPEYCSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12(19)18(15-6-4-5-7-16(15)21-2)14-10-8-13(9-11-14)17(20)22-3/h4-11H,1-3H3.
What are the key properties of methyl 4-(N-acetyl-2-methoxyanilino)benzoate?
methyl 4-(N-acetyl-2-methoxyanilino)benzoate has a molecular weight of 299.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(N-acetyl-2-methoxyanilino)benzoate is sourced from PubChem (CID 59092831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).