(4-methylphenyl) 3-(carbamoylamino)benzoate

C15H14N2O3 — CID 47098186

IUPAC(4-methylphenyl) 3-(carbamoylamino)benzoate
SMILESCc1ccc(OC(=O)c2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C15H14N2O3/c1-10-5-7-13(8-6-10)20-14(18)11-3-2-4-12(9-11)17-15(16)19/h2-9H,1H3,(H3,16,17,19)
InChIKeyAEQKUSXCDIFNOV-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.70
Rot. Bonds3

About (4-methylphenyl) 3-(carbamoylamino)benzoate

(4-methylphenyl) 3-(carbamoylamino)benzoate (PubChem CID 47098186) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (4-methylphenyl) 3-(carbamoylamino)benzoate.

Molecular Properties

Compound Name(4-methylphenyl) 3-(carbamoylamino)benzoate
PubChem CID47098186
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(4-methylphenyl) 3-(carbamoylamino)benzoate
SMILESCc1ccc(OC(=O)c2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C15H14N2O3/c1-10-5-7-13(8-6-10)20-14(18)11-3-2-4-12(9-11)17-15(16)19/h2-9H,1H3,(H3,16,17,19)
InChIKeyAEQKUSXCDIFNOV-UHFFFAOYSA-N
XLogP2.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl) 3-acetamidobenzoate
CID 47098191
methyl 3-(carbamoylamino)benzoate
CID 2822841
(4-chlorophenyl) 3-acetamidobenzoate
CID 47098149
(4-methoxycarbonylphenyl) 3-(ethoxycarbonylamino)benzoate
CID 26689674
phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate
CID 71676330
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(carbamoylamino)benzoate
CID 8803821
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093
[5-(dimethylcarbamoyl)-2-methylphenyl] 3-(carbamoylamino)benzoate
CID 71940095
ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate
CID 117344331
1-O-methyl 3-O-[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzene-1,3-dicarboxylate
CID 22898067
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 3-(carbamoylamino)benzoate?
The IUPAC name of (4-methylphenyl) 3-(carbamoylamino)benzoate (CID 47098186) is (4-methylphenyl) 3-(carbamoylamino)benzoate.
What is the SMILES notation for (4-methylphenyl) 3-(carbamoylamino)benzoate?
The canonical SMILES for (4-methylphenyl) 3-(carbamoylamino)benzoate is Cc1ccc(OC(=O)c2cccc(NC(N)=O)c2)cc1.
What is the InChIKey of (4-methylphenyl) 3-(carbamoylamino)benzoate?
The InChIKey is AEQKUSXCDIFNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-5-7-13(8-6-10)20-14(18)11-3-2-4-12(9-11)17-15(16)19/h2-9H,1H3,(H3,16,17,19).
What are the key properties of (4-methylphenyl) 3-(carbamoylamino)benzoate?
(4-methylphenyl) 3-(carbamoylamino)benzoate has a molecular weight of 270.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 3-(carbamoylamino)benzoate is sourced from PubChem (CID 47098186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).