methyl 4-(phenoxycarbonylcarbamoylamino)benzoate

C16H14N2O5 — CID 728299

IUPACmethyl 4-(phenoxycarbonylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H14N2O5/c1-22-14(19)11-7-9-12(10-8-11)17-15(20)18-16(21)23-13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,18,20,21)
InChIKeyMMXBXHJPQWNGEG-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.79
Rot. Bonds3

About methyl 4-(phenoxycarbonylcarbamoylamino)benzoate

methyl 4-(phenoxycarbonylcarbamoylamino)benzoate (PubChem CID 728299) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is methyl 4-(phenoxycarbonylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(phenoxycarbonylcarbamoylamino)benzoate
PubChem CID728299
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Namemethyl 4-(phenoxycarbonylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H14N2O5/c1-22-14(19)11-7-9-12(10-8-11)17-15(20)18-16(21)23-13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,18,20,21)
InChIKeyMMXBXHJPQWNGEG-UHFFFAOYSA-N
XLogP2.79
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-(phenoxycarbonylcarbamoylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-({[4-(sulfamoyloxy)phenyl]carbamoyl}amino)benzoate
CID 70692550
4-[[(4-Methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester
CID 970268
4-[(3-Methoxybenzoyl)amino]benzoic acid
CID 3240131
3-methylbutyl 4-{[(2E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino}benzoate
CID 1182652
Methyl 4-[(2-phenoxypropanoyl)amino]benzoate
CID 2867477
phenyl N-(4-acetylphenyl)carbamate
CID 806009
Methyl 4-[(3-methoxyphenyl)carbonylamino]benzoate
CID 743729
Methyl 4-(3-phenoxypropanoylamino)benzoate
CID 725603
N-{[(4-methoxyphenyl)amino]carbonyl}benzamide
CID 977500
3-(3-(4-(Phenoxymethyl)phenyl)ureido)benzoic acid
CID 2812103
Methyl 4-[(1,3-benzodioxol-5-ylcarbamoyl)amino]benzoate
CID 6470376
Ethyl 4-({[(phenoxyacetyl)amino]carbothioyl}amino)benzoate
CID 1011235

Frequently Asked Questions

What is the IUPAC name of methyl 4-(phenoxycarbonylcarbamoylamino)benzoate?
The IUPAC name of methyl 4-(phenoxycarbonylcarbamoylamino)benzoate (CID 728299) is methyl 4-(phenoxycarbonylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 4-(phenoxycarbonylcarbamoylamino)benzoate?
The canonical SMILES for methyl 4-(phenoxycarbonylcarbamoylamino)benzoate is COC(=O)c1ccc(NC(=O)NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of methyl 4-(phenoxycarbonylcarbamoylamino)benzoate?
The InChIKey is MMXBXHJPQWNGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-22-14(19)11-7-9-12(10-8-11)17-15(20)18-16(21)23-13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,18,20,21).
What are the key properties of methyl 4-(phenoxycarbonylcarbamoylamino)benzoate?
methyl 4-(phenoxycarbonylcarbamoylamino)benzoate has a molecular weight of 314.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(phenoxycarbonylcarbamoylamino)benzoate is sourced from PubChem (CID 728299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).