methyl 4-[(2-methylphenyl)carbamoylamino]benzoate

C16H16N2O3 — CID 2787278

IUPACmethyl 4-[(2-methylphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C16H16N2O3/c1-11-5-3-4-6-14(11)18-16(20)17-13-9-7-12(8-10-13)15(19)21-2/h3-10H,1-2H3,(H2,17,18,20)
InChIKeyCDNAHPOETPIMFD-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.43
Rot. Bonds3

About methyl 4-[(2-methylphenyl)carbamoylamino]benzoate

methyl 4-[(2-methylphenyl)carbamoylamino]benzoate (PubChem CID 2787278) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 4-[(2-methylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methylphenyl)carbamoylamino]benzoate
PubChem CID2787278
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 4-[(2-methylphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C16H16N2O3/c1-11-5-3-4-6-14(11)18-16(20)17-13-9-7-12(8-10-13)15(19)21-2/h3-10H,1-2H3,(H2,17,18,20)
InChIKeyCDNAHPOETPIMFD-UHFFFAOYSA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methylphenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 4-[(2-methylphenyl)carbamoylamino]benzoate (CID 2787278) is methyl 4-[(2-methylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 4-[(2-methylphenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 4-[(2-methylphenyl)carbamoylamino]benzoate is COC(=O)c1ccc(NC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of methyl 4-[(2-methylphenyl)carbamoylamino]benzoate?
The InChIKey is CDNAHPOETPIMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-5-3-4-6-14(11)18-16(20)17-13-9-7-12(8-10-13)15(19)21-2/h3-10H,1-2H3,(H2,17,18,20).
What are the key properties of methyl 4-[(2-methylphenyl)carbamoylamino]benzoate?
methyl 4-[(2-methylphenyl)carbamoylamino]benzoate has a molecular weight of 284.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 2787278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).