1-cyano-3-(2,4-dimethoxyphenyl)urea

C10H11N3O3 — CID 20559814

IUPAC1-cyano-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC#N)c(OC)c1
InChIInChI=1S/C10H11N3O3/c1-15-7-3-4-8(9(5-7)16-2)13-10(14)12-6-11/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyCGRDFNZBYLGGHK-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.31
Rot. Bonds3

About 1-cyano-3-(2,4-dimethoxyphenyl)urea

1-cyano-3-(2,4-dimethoxyphenyl)urea (PubChem CID 20559814) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-cyano-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-cyano-3-(2,4-dimethoxyphenyl)urea
PubChem CID20559814
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-cyano-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC#N)c(OC)c1
InChIInChI=1S/C10H11N3O3/c1-15-7-3-4-8(9(5-7)16-2)13-10(14)12-6-11/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyCGRDFNZBYLGGHK-UHFFFAOYSA-N
XLogP1.31
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyano-3-(2,4-dimethoxyphenyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,4-dimethoxyanilino)ethene-1,1,2-tricarbonitrile
CID 168610584
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea
CID 11988328
(Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide
CID 20849753
1-cyano-3-(3-methoxyphenyl)urea
CID 22351200
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
1-(2,4-dimethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 769338
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911046
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
(E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 19169431

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-cyano-3-(2,4-dimethoxyphenyl)urea (CID 20559814) is 1-cyano-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-cyano-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-cyano-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)NC#N)c(OC)c1.
What is the InChIKey of 1-cyano-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is CGRDFNZBYLGGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-15-7-3-4-8(9(5-7)16-2)13-10(14)12-6-11/h3-5H,1-2H3,(H2,12,13,14).
What are the key properties of 1-cyano-3-(2,4-dimethoxyphenyl)urea?
1-cyano-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 221.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 20559814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).