methyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate

C16H16N2O4 — CID 970268

IUPACmethyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-21-14-9-7-13(8-10-14)18-16(20)17-12-5-3-11(4-6-12)15(19)22-2/h3-10H,1-2H3,(H2,17,18,20)
InChIKeyFMONKRKYOKEDQX-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.13
Rot. Bonds4

About methyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate

methyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate (PubChem CID 970268) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate
PubChem CID970268
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namemethyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-21-14-9-7-13(8-10-14)18-16(20)17-12-5-3-11(4-6-12)15(19)22-2/h3-10H,1-2H3,(H2,17,18,20)
InChIKeyFMONKRKYOKEDQX-UHFFFAOYSA-N
XLogP3.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
Ethyl 3-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate
CID 70690387
Ethyl 4-({[4-(sulfamoyloxy)phenyl]carbamoyl}amino)benzoate
CID 70692550
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
Ethyl 2-[(4-sulfamoyloxyphenyl)carbamoylamino]benzoate
CID 70690386
(1R,2R)-2-{[4-(4-{[(4-methoxyphenyl)carbamoyl]amino}phenyl)phenyl]carbonyl}cyclopentane-1-carboxylic acid
CID 24768268
Methyl 4-(3-phenoxypropanoylamino)benzoate
CID 725603
Methyl 4-({[(4-hydroxyphenyl)amino]carbonothioyl}amino)benzoate
CID 726319

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate (CID 970268) is methyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate is COC(=O)c1ccc(NC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate?
The InChIKey is FMONKRKYOKEDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-14-9-7-13(8-10-14)18-16(20)17-12-5-3-11(4-6-12)15(19)22-2/h3-10H,1-2H3,(H2,17,18,20).
What are the key properties of methyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate?
methyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate has a molecular weight of 300.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methoxyphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 970268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).