3-(4-methoxyphenyl)-1,1-dimethylurea

C10H14N2O2 — CID 23550

IUPAC3-(4-methoxyphenyl)-1,1-dimethylurea
SMILESCOc1ccc(NC(=O)N(C)C)cc1
InChIInChI=1S/C10H14N2O2/c1-12(2)10(13)11-8-4-6-9(14-3)7-5-8/h4-7H,1-3H3,(H,11,13)
InChIKeyLCLYWJDPJMDAQN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.79
Rot. Bonds2

About 3-(4-methoxyphenyl)-1,1-dimethylurea

3-(4-methoxyphenyl)-1,1-dimethylurea (PubChem CID 23550) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,1-dimethylurea
PubChem CID23550
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(4-methoxyphenyl)-1,1-dimethylurea
SMILESCOc1ccc(NC(=O)N(C)C)cc1
InChIInChI=1S/C10H14N2O2/c1-12(2)10(13)11-8-4-6-9(14-3)7-5-8/h4-7H,1-3H3,(H,11,13)
InChIKeyLCLYWJDPJMDAQN-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-methoxyphenyl)-1,1-dimethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,1-dimethylurea?
The IUPAC name of 3-(4-methoxyphenyl)-1,1-dimethylurea (CID 23550) is 3-(4-methoxyphenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(4-methoxyphenyl)-1,1-dimethylurea is COc1ccc(NC(=O)N(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,1-dimethylurea?
The InChIKey is LCLYWJDPJMDAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12(2)10(13)11-8-4-6-9(14-3)7-5-8/h4-7H,1-3H3,(H,11,13).
What are the key properties of 3-(4-methoxyphenyl)-1,1-dimethylurea?
3-(4-methoxyphenyl)-1,1-dimethylurea has a molecular weight of 194.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,1-dimethylurea is sourced from PubChem (CID 23550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).