3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea

C14H26N2O2 — CID 115686592

IUPAC3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
SMILESCN(CCOCC1CC1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-16(9-10-18-11-12-7-8-12)14(17)15-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyQIPYXCIUJBLQJE-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.39
Rot. Bonds6

About 3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea

3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea (PubChem CID 115686592) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
PubChem CID115686592
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
SMILESCN(CCOCC1CC1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-16(9-10-18-11-12-7-8-12)14(17)15-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyQIPYXCIUJBLQJE-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea
CID 142463129
1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163350
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
N-[2-(cyclopropylmethoxy)ethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119813290
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N,2-dimethylpropanamide
CID 103430227
methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate
CID 79006432
3-[2-(cyclopentylmethoxy)ethylcarbamoyl-methylamino]propanoic acid
CID 122017077
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
CID 107032708
3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea
CID 47326407
3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea
CID 115618266

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea?
The IUPAC name of 3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea (CID 115686592) is 3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea.
What is the SMILES notation for 3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea?
The canonical SMILES for 3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea is CN(CCOCC1CC1)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea?
The InChIKey is QIPYXCIUJBLQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-16(9-10-18-11-12-7-8-12)14(17)15-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of 3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea?
3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea has a molecular weight of 254.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea is sourced from PubChem (CID 115686592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).