1-cycloheptyl-3-methoxyurea

C9H18N2O2 — CID 126986046

IUPAC1-cycloheptyl-3-methoxyurea
SMILESCONC(=O)NC1CCCCCC1
InChIInChI=1S/C9H18N2O2/c1-13-11-9(12)10-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyIZEHAUFWPMRRBC-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.57
Rot. Bonds2

About 1-cycloheptyl-3-methoxyurea

1-cycloheptyl-3-methoxyurea (PubChem CID 126986046) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-cycloheptyl-3-methoxyurea.

Molecular Properties

Compound Name1-cycloheptyl-3-methoxyurea
PubChem CID126986046
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-cycloheptyl-3-methoxyurea
SMILESCONC(=O)NC1CCCCCC1
InChIInChI=1S/C9H18N2O2/c1-13-11-9(12)10-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyIZEHAUFWPMRRBC-UHFFFAOYSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorocyclohexyl)-3-methoxyurea
CID 130657399
1-methoxy-3-(4-methylidenecyclohexyl)urea
CID 91252430
1-cyclobutyl-3-cyclohexylurea
CID 17217147
(cyclohexylcarbamoylamino) propanoate
CID 57029614
methyl N-cyclohexadecylcarbamate
CID 131977131
1-cyclohexyl-3-(dimethylamino)urea
CID 3617823
2-(cyclohexylcarbamoylamino)oxyacetamide
CID 112549830
cyclohexylurea;methanamine
CID 142108304
1-cyclododecyl-3-(2-methoxyethoxymethyl)urea
CID 108894366
1-(2-cyclopropylcyclobutyl)-3-methoxyurea
CID 130725595
2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47122602
dimethyl 2-cyclohexylpropanedioate
CID 2793740

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-methoxyurea?
The IUPAC name of 1-cycloheptyl-3-methoxyurea (CID 126986046) is 1-cycloheptyl-3-methoxyurea.
What is the SMILES notation for 1-cycloheptyl-3-methoxyurea?
The canonical SMILES for 1-cycloheptyl-3-methoxyurea is CONC(=O)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-methoxyurea?
The InChIKey is IZEHAUFWPMRRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-11-9(12)10-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3,(H2,10,11,12).
What are the key properties of 1-cycloheptyl-3-methoxyurea?
1-cycloheptyl-3-methoxyurea has a molecular weight of 186.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-methoxyurea is sourced from PubChem (CID 126986046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).