1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea

C15H19N3O2 — CID 43369639

IUPAC1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea
SMILESN#CCOc1ccccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C15H19N3O2/c16-10-11-20-14-9-5-4-8-13(14)18-15(19)17-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,11H2,(H2,17,18,19)
InChIKeyVZCODGBGCOYCEC-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.04
Rot. Bonds4

About 1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea

1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea (PubChem CID 43369639) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea
PubChem CID43369639
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea
SMILESN#CCOc1ccccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C15H19N3O2/c16-10-11-20-14-9-5-4-8-13(14)18-15(19)17-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,11H2,(H2,17,18,19)
InChIKeyVZCODGBGCOYCEC-UHFFFAOYSA-N
XLogP3.04
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47103328
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CID 103513721
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
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1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea
CID 43437768
1-(2-bromophenyl)-3-cyclododecylurea
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1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
1-cyclohexyl-3-[4-(2-methylphenoxy)but-2-ynyl]urea
CID 90575360
2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid
CID 63746907

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea (CID 43369639) is 1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea is N#CCOc1ccccc1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea?
The InChIKey is VZCODGBGCOYCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-10-11-20-14-9-5-4-8-13(14)18-15(19)17-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,11H2,(H2,17,18,19).
What are the key properties of 1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea?
1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea has a molecular weight of 273.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea is sourced from PubChem (CID 43369639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).