1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea

C16H18N2O3 — CID 3367355

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
SMILESCOc1cc(CNC(=O)Nc2ccccc2)cc(OC)c1
InChIInChI=1S/C16H18N2O3/c1-20-14-8-12(9-15(10-14)21-2)11-17-16(19)18-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyIRDXYYWQTHOWJN-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.03
Rot. Bonds5

About 1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea

1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea (PubChem CID 3367355) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
PubChem CID3367355
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
SMILESCOc1cc(CNC(=O)Nc2ccccc2)cc(OC)c1
InChIInChI=1S/C16H18N2O3/c1-20-14-8-12(9-15(10-14)21-2)11-17-16(19)18-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyIRDXYYWQTHOWJN-UHFFFAOYSA-N
XLogP3.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
CID 23938828
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852472
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3774763
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea
CID 3868754
1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 23762285

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea (CID 3367355) is 1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea is COc1cc(CNC(=O)Nc2ccccc2)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea?
The InChIKey is IRDXYYWQTHOWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14-8-12(9-15(10-14)21-2)11-17-16(19)18-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea?
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea has a molecular weight of 286.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea is sourced from PubChem (CID 3367355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).