methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate

C17H18N2O3 — CID 20787944

IUPACmethyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H18N2O3/c1-12-8-10-13(11-9-12)18-17(21)19(2)15-7-5-4-6-14(15)16(20)22-3/h4-11H,1-3H3,(H,18,21)
InChIKeyOEDCRWVDOWCRRH-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.45
Rot. Bonds3

About methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate

methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate (PubChem CID 20787944) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate
PubChem CID20787944
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H18N2O3/c1-12-8-10-13(11-9-12)18-17(21)19(2)15-7-5-4-6-14(15)16(20)22-3/h4-11H,1-3H3,(H,18,21)
InChIKeyOEDCRWVDOWCRRH-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 20787954
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methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
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methyl 2-[2-bromopropanoyl(methyl)amino]benzoate
CID 11392410
ethane;methyl 2-(4-methylanilino)benzoate
CID 91139504
dimethyl 3-(N,4-dimethylanilino)benzene-1,2-dicarboxylate
CID 164557361
methyl 2-[methyl-(2-methylsulfanylacetyl)amino]benzoate
CID 43423111
methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
CID 43409538
methyl 2-(4-methylanilino)sulfanylbenzoate
CID 10038955
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate
CID 63469902
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CID 56506522

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate?
The IUPAC name of methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate (CID 20787944) is methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate?
The canonical SMILES for methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate is COC(=O)c1ccccc1N(C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate?
The InChIKey is OEDCRWVDOWCRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-8-10-13(11-9-12)18-17(21)19(2)15-7-5-4-6-14(15)16(20)22-3/h4-11H,1-3H3,(H,18,21).
What are the key properties of methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate?
methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate has a molecular weight of 298.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate is sourced from PubChem (CID 20787944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).