phenyl 4-(methoxycarbonylamino)benzoate

C15H13NO4 — CID 17123939

IUPACphenyl 4-(methoxycarbonylamino)benzoate
SMILESCOC(=O)Nc1ccc(C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C15H13NO4/c1-19-15(18)16-12-9-7-11(8-10-12)14(17)20-13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18)
InChIKeyUBDYYTBUXAZGBN-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.08
Rot. Bonds3

About phenyl 4-(methoxycarbonylamino)benzoate

phenyl 4-(methoxycarbonylamino)benzoate (PubChem CID 17123939) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is phenyl 4-(methoxycarbonylamino)benzoate.

Molecular Properties

Compound Namephenyl 4-(methoxycarbonylamino)benzoate
PubChem CID17123939
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namephenyl 4-(methoxycarbonylamino)benzoate
SMILESCOC(=O)Nc1ccc(C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C15H13NO4/c1-19-15(18)16-12-9-7-11(8-10-12)14(17)20-13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18)
InChIKeyUBDYYTBUXAZGBN-UHFFFAOYSA-N
XLogP3.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] benzene-1,4-dicarboxylate
CID 168866198
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
(4-benzamidophenyl) benzoate
CID 569583
(4-methoxycarbonylphenyl) 4-acetamidobenzoate
CID 7761360
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
5-O-methyl 1-O,3-O-diphenyl benzene-1,3,5-tricarboxylate
CID 71365622
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
CID 68594224
CID 68594224
methyl 4-[[4-(phenoxycarbonylamino)phenyl]sulfonylmethyl]benzoate
CID 130466969
methyl 4-[[2-oxo-2-(4-phenoxyanilino)acetyl]amino]benzoate
CID 44999634
(4-benzamidophenyl) 4-carbamoylbenzoate
CID 35623223
phenyl 4-tert-butylbenzoate
CID 733785

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(methoxycarbonylamino)benzoate?
The IUPAC name of phenyl 4-(methoxycarbonylamino)benzoate (CID 17123939) is phenyl 4-(methoxycarbonylamino)benzoate.
What is the SMILES notation for phenyl 4-(methoxycarbonylamino)benzoate?
The canonical SMILES for phenyl 4-(methoxycarbonylamino)benzoate is COC(=O)Nc1ccc(C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl 4-(methoxycarbonylamino)benzoate?
The InChIKey is UBDYYTBUXAZGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-15(18)16-12-9-7-11(8-10-12)14(17)20-13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18).
What are the key properties of phenyl 4-(methoxycarbonylamino)benzoate?
phenyl 4-(methoxycarbonylamino)benzoate has a molecular weight of 271.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(methoxycarbonylamino)benzoate is sourced from PubChem (CID 17123939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).