methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate

C17H17NO3 — CID 20787954

IUPACmethyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H17NO3/c1-12-8-10-13(11-9-12)16(19)18(2)15-7-5-4-6-14(15)17(20)21-3/h4-11H,1-3H3
InChIKeyIRCKTVINGGRGIJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.06
Rot. Bonds3

About methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate

methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate (PubChem CID 20787954) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
PubChem CID20787954
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H17NO3/c1-12-8-10-13(11-9-12)16(19)18(2)15-7-5-4-6-14(15)17(20)21-3/h4-11H,1-3H3
InChIKeyIRCKTVINGGRGIJ-UHFFFAOYSA-N
XLogP3.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate
CID 20787944
methyl 2-[methyl-[(4-methylbenzoyl)carbamothioyl]amino]benzoate
CID 10593410
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate
CID 43623067
methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate
CID 43423135
methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate
CID 43423137
methyl 2-[2-bromopropanoyl(methyl)amino]benzoate
CID 11392410
2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154768
methyl 2-[methyl-(2-methylsulfanylacetyl)amino]benzoate
CID 43423111
dimethyl 3-(N,4-dimethylanilino)benzene-1,2-dicarboxylate
CID 164557361
methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
CID 43409538
methyl 2-[3-acetamidopropanoyl(methyl)amino]benzoate
CID 43423098

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate (CID 20787954) is methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate is COC(=O)c1ccccc1N(C)C(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate?
The InChIKey is IRCKTVINGGRGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-8-10-13(11-9-12)16(19)18(2)15-7-5-4-6-14(15)17(20)21-3/h4-11H,1-3H3.
What are the key properties of methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate?
methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate has a molecular weight of 283.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 20787954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).