1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea

C17H20N2O4 — CID 23795256

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H20N2O4/c1-21-14-6-4-13(5-7-14)19-17(20)18-11-12-8-15(22-2)10-16(9-12)23-3/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyCWXKSCJJTMCTRO-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.03
Rot. Bonds6

About 1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea

1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea (PubChem CID 23795256) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
PubChem CID23795256
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H20N2O4/c1-21-14-6-4-13(5-7-14)19-17(20)18-11-12-8-15(22-2)10-16(9-12)23-3/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyCWXKSCJJTMCTRO-UHFFFAOYSA-N
XLogP3.03
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-[4-[3-[hydroxy(methyl)amino]propyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156825173
1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea
CID 3868754
1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
CID 23938828

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea (CID 23795256) is 1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NCc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea?
The InChIKey is CWXKSCJJTMCTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-21-14-6-4-13(5-7-14)19-17(20)18-11-12-8-15(22-2)10-16(9-12)23-3/h4-10H,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea?
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea has a molecular weight of 316.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 23795256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).