(4-methoxyphenyl)cyanamide

C8H8N2O — CID 10931588

IUPAC(4-methoxyphenyl)cyanamide
SMILESCOc1ccc(NC#N)cc1
InChIInChI=1S/C8H8N2O/c1-11-8-4-2-7(3-5-8)10-6-9/h2-5,10H,1H3
InChIKeyQQESBGXIUZCUIM-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.59
Rot. Bonds2

About (4-methoxyphenyl)cyanamide

(4-methoxyphenyl)cyanamide (PubChem CID 10931588) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is (4-methoxyphenyl)cyanamide.

Molecular Properties

Compound Name(4-methoxyphenyl)cyanamide
PubChem CID10931588
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name(4-methoxyphenyl)cyanamide
SMILESCOc1ccc(NC#N)cc1
InChIInChI=1S/C8H8N2O/c1-11-8-4-2-7(3-5-8)10-6-9/h2-5,10H,1H3
InChIKeyQQESBGXIUZCUIM-UHFFFAOYSA-N
XLogP1.59
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze (4-methoxyphenyl)cyanamide 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 (4-methoxyphenyl)cyanamide?
The IUPAC name of (4-methoxyphenyl)cyanamide (CID 10931588) is (4-methoxyphenyl)cyanamide.
What is the SMILES notation for (4-methoxyphenyl)cyanamide?
The canonical SMILES for (4-methoxyphenyl)cyanamide is COc1ccc(NC#N)cc1.
What is the InChIKey of (4-methoxyphenyl)cyanamide?
The InChIKey is QQESBGXIUZCUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-11-8-4-2-7(3-5-8)10-6-9/h2-5,10H,1H3.
What are the key properties of (4-methoxyphenyl)cyanamide?
(4-methoxyphenyl)cyanamide has a molecular weight of 148.16 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)cyanamide is sourced from PubChem (CID 10931588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).