1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea

C16H18N2O3 — CID 110774594

IUPAC1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea
SMILESCOc1ccc(NC(=O)Nc2ccccc2)c(OC)c1C
InChIInChI=1S/C16H18N2O3/c1-11-14(20-2)10-9-13(15(11)21-3)18-16(19)17-12-7-5-4-6-8-12/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyOGVKPSCNOGRNEU-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.66
Rot. Bonds4

About 1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea

1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea (PubChem CID 110774594) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea
PubChem CID110774594
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea
SMILESCOc1ccc(NC(=O)Nc2ccccc2)c(OC)c1C
InChIInChI=1S/C16H18N2O3/c1-11-14(20-2)10-9-13(15(11)21-3)18-16(19)17-12-7-5-4-6-8-12/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyOGVKPSCNOGRNEU-UHFFFAOYSA-N
XLogP3.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride
CID 115194384
N-(2,4-dimethoxy-3-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 110777877
N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide
CID 115165932
1-(4-anilino-2-methoxyphenyl)-3-phenylurea
CID 110179401
3-acetamido-N-(2,4-dimethoxy-3-methylphenyl)benzamide
CID 110792976
N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide
CID 115166939
1-(5-hydroxy-2,4-dimethoxyphenyl)-3-phenylurea
CID 22099500
N-(4-methoxy-2,3-dimethylphenyl)-2-methylpropanamide
CID 110777719
2-(2,4-dimethoxy-3-methylanilino)-2-methylpropanoic acid
CID 115127771
N-(2,4-dimethoxy-3-methylphenyl)cyclopentanecarboxamide
CID 110777847
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
N-[5-methoxy-2-methyl-4-(phenylcarbamoylamino)phenyl]benzamide
CID 3546373

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea?
The IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea (CID 110774594) is 1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea?
The canonical SMILES for 1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea is COc1ccc(NC(=O)Nc2ccccc2)c(OC)c1C.
What is the InChIKey of 1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea?
The InChIKey is OGVKPSCNOGRNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-14(20-2)10-9-13(15(11)21-3)18-16(19)17-12-7-5-4-6-8-12/h4-10H,1-3H3,(H2,17,18,19).
What are the key properties of 1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea?
1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea has a molecular weight of 286.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea is sourced from PubChem (CID 110774594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).