1-(3-methoxyphenyl)-3-methylurea

C9H12N2O2 — CID 4548688

IUPAC1-(3-methoxyphenyl)-3-methylurea
SMILESCNC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C9H12N2O2/c1-10-9(12)11-7-4-3-5-8(6-7)13-2/h3-6H,1-2H3,(H2,10,11,12)
InChIKeyVWGWVAZNHXLHLG-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.45
Rot. Bonds2

About 1-(3-methoxyphenyl)-3-methylurea

1-(3-methoxyphenyl)-3-methylurea (PubChem CID 4548688) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-methylurea
PubChem CID4548688
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(3-methoxyphenyl)-3-methylurea
SMILESCNC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C9H12N2O2/c1-10-9(12)11-7-4-3-5-8(6-7)13-2/h3-6H,1-2H3,(H2,10,11,12)
InChIKeyVWGWVAZNHXLHLG-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-methoxyphenyl)-3-methylurea 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 1-(3-methoxyphenyl)-3-methylurea?
The IUPAC name of 1-(3-methoxyphenyl)-3-methylurea (CID 4548688) is 1-(3-methoxyphenyl)-3-methylurea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-methylurea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-methylurea is CNC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-methylurea?
The InChIKey is VWGWVAZNHXLHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-10-9(12)11-7-4-3-5-8(6-7)13-2/h3-6H,1-2H3,(H2,10,11,12).
What are the key properties of 1-(3-methoxyphenyl)-3-methylurea?
1-(3-methoxyphenyl)-3-methylurea has a molecular weight of 180.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-methylurea is sourced from PubChem (CID 4548688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).