methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate

C17H17NO4 — CID 36928114

IUPACmethyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2OC)c(C)c1
InChIInChI=1S/C17H17NO4/c1-11-10-12(17(20)22-3)8-9-14(11)18-16(19)13-6-4-5-7-15(13)21-2/h4-10H,1-3H3,(H,18,19)
InChIKeyJDZCDMIFFXMBPC-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.04
Rot. Bonds4

About methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate

methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate (PubChem CID 36928114) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
PubChem CID36928114
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2OC)c(C)c1
InChIInChI=1S/C17H17NO4/c1-11-10-12(17(20)22-3)8-9-14(11)18-16(19)13-6-4-5-7-15(13)21-2/h4-10H,1-3H3,(H,18,19)
InChIKeyJDZCDMIFFXMBPC-UHFFFAOYSA-N
XLogP3.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid
CID 139945309
methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016247
methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
CID 60722400
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
methyl 3-[(2-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 4896727
methyl 4-[hydroxy-[2-[(2-methoxybenzoyl)amino]phenyl]methyl]benzoate
CID 71596281
2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 3419820
methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 113000009
dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate
CID 986664
methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63997003

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate (CID 36928114) is methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate is COC(=O)c1ccc(NC(=O)c2ccccc2OC)c(C)c1.
What is the InChIKey of methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate?
The InChIKey is JDZCDMIFFXMBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-10-12(17(20)22-3)8-9-14(11)18-16(19)13-6-4-5-7-15(13)21-2/h4-10H,1-3H3,(H,18,19).
What are the key properties of methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate?
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate has a molecular weight of 299.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate is sourced from PubChem (CID 36928114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).