1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea

C16H15N3O2 — CID 43369603

IUPAC1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc(OCC#N)c2)c1
InChIInChI=1S/C16H15N3O2/c1-12-4-2-5-13(10-12)18-16(20)19-14-6-3-7-15(11-14)21-9-8-17/h2-7,10-11H,9H2,1H3,(H2,18,19,20)
InChIKeyZZNSRIYBEMYJON-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.54
Rot. Bonds4

About 1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea

1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea (PubChem CID 43369603) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
PubChem CID43369603
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc(OCC#N)c2)c1
InChIInChI=1S/C16H15N3O2/c1-12-4-2-5-13(10-12)18-16(20)19-14-6-3-7-15(11-14)21-9-8-17/h2-7,10-11H,9H2,1H3,(H2,18,19,20)
InChIKeyZZNSRIYBEMYJON-UHFFFAOYSA-N
XLogP3.54
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)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

1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369636
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
1-[3-(cyanomethoxy)phenyl]-3-ethylurea
CID 43175550
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 113233319
N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137
1-[3-(cyanomethoxy)phenyl]-3-(4-methylcyclohexyl)urea
CID 51116767
2-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 43708782
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea (CID 43369603) is 1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2cccc(OCC#N)c2)c1.
What is the InChIKey of 1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is ZZNSRIYBEMYJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-4-2-5-13(10-12)18-16(20)19-14-6-3-7-15(11-14)21-9-8-17/h2-7,10-11H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea?
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 281.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 43369603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).