methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate

C17H18N2O3 — CID 108991298

IUPACmethyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C17H18N2O3/c1-11-7-8-15(12(2)9-11)19-17(21)18-14-6-4-5-13(10-14)16(20)22-3/h4-10H,1-3H3,(H2,18,19,21)
InChIKeyNIJMQEHFSCEAPR-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.73
Rot. Bonds3

About methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate

methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate (PubChem CID 108991298) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
PubChem CID108991298
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C17H18N2O3/c1-11-7-8-15(12(2)9-11)19-17(21)18-14-6-4-5-13(10-14)16(20)22-3/h4-10H,1-3H3,(H2,18,19,21)
InChIKeyNIJMQEHFSCEAPR-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate
CID 46860218
[3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate
CID 108865160
methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate
CID 43404884
methyl 3-[(2-iodophenyl)carbamoylamino]benzoate
CID 108869084
1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185
3-O-[2-(2,4-dimethylanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860621
methyl 3-[[6-(2,4-dimethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865178
methyl 3-[[6-[(2,4-dimethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127560
methyl 3-[[4-(2,4-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219781
methyl 3-[[3-(4-chloro-2-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108955199
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate (CID 108991298) is methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate is COC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate?
The InChIKey is NIJMQEHFSCEAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-7-8-15(12(2)9-11)19-17(21)18-14-6-4-5-13(10-14)16(20)22-3/h4-10H,1-3H3,(H2,18,19,21).
What are the key properties of methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate?
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate has a molecular weight of 298.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108991298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).