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

C17H18N2O4 — CID 34667949

IUPACmethyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N2O4/c1-22-15-9-7-14(8-10-15)19-17(21)18-11-12-3-5-13(6-4-12)16(20)23-2/h3-10H,11H2,1-2H3,(H2,18,19,21)
InChIKeyFVDKAFWOWMVOAW-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.80
Rot. Bonds5

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

methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate (PubChem CID 34667949) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
PubChem CID34667949
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namemethyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N2O4/c1-22-15-9-7-14(8-10-15)19-17(21)18-11-12-3-5-13(6-4-12)16(20)23-2/h3-10H,11H2,1-2H3,(H2,18,19,21)
InChIKeyFVDKAFWOWMVOAW-UHFFFAOYSA-N
XLogP2.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109
methyl 4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoylamino]benzoate
CID 47039872
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
methyl 4-[(4-methoxyanilino)methyl]benzoate;hydrochloride
CID 141308228
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156825173
ethyl 4-[[(4-ethoxycarbonyloxyphenyl)carbamoylamino]methyl]benzoate
CID 108865745
1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 60591596

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate (CID 34667949) is methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate?
The InChIKey is FVDKAFWOWMVOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-15-9-7-14(8-10-15)19-17(21)18-11-12-3-5-13(6-4-12)16(20)23-2/h3-10H,11H2,1-2H3,(H2,18,19,21).
What are the key properties of methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate?
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate has a molecular weight of 314.34 g/mol, XLogP of 2.80, 5 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]methyl]benzoate is sourced from PubChem (CID 34667949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).