1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea

C16H18N2O3 — CID 110774912

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
SMILESCOc1ccc(CNC(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C16H18N2O3/c1-20-14-9-8-12(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)
InChIKeyQGQXXYQVDCSCPI-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.03
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea

1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea (PubChem CID 110774912) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
PubChem CID110774912
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
SMILESCOc1ccc(CNC(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C16H18N2O3/c1-20-14-9-8-12(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)
InChIKeyQGQXXYQVDCSCPI-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-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 110774913
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654828
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 78892965
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
(2,4-dimethoxyphenyl)methylurea
CID 53362457
3-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66164937
4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
CID 5126515

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea (CID 110774912) is 1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea is COc1ccc(CNC(=O)Nc2ccccc2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea?
The InChIKey is QGQXXYQVDCSCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14-9-8-12(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-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea?
1-[(2,4-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-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea is sourced from PubChem (CID 110774912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).