3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea

C17H34N2O3 — CID 142463129

IUPAC3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea
SMILESCCOCCCCCOCCN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C17H34N2O3/c1-3-21-13-8-5-9-14-22-15-12-19(2)17(20)18-16-10-6-4-7-11-16/h16H,3-15H2,1-2H3,(H,18,20)
InChIKeyNUFYEAFSIQVPDS-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.18
Rot. Bonds11

About 3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea

3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea (PubChem CID 142463129) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea
PubChem CID142463129
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Name3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea
SMILESCCOCCCCCOCCN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C17H34N2O3/c1-3-21-13-8-5-9-14-22-15-12-19(2)17(20)18-16-10-6-4-7-11-16/h16H,3-15H2,1-2H3,(H,18,20)
InChIKeyNUFYEAFSIQVPDS-UHFFFAOYSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
CID 115686592
3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea
CID 115618266
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 81056904
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
N-cyclohexyl-2-(2-ethoxyethylamino)propanamide
CID 43591067
3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea
CID 47326407
1-(3-aminobutyl)-3-cyclobutyl-1-methylurea
CID 116658911
3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea
CID 115585875
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea?
The IUPAC name of 3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea (CID 142463129) is 3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea.
What is the SMILES notation for 3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea?
The canonical SMILES for 3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea is CCOCCCCCOCCN(C)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea?
The InChIKey is NUFYEAFSIQVPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-3-21-13-8-5-9-14-22-15-12-19(2)17(20)18-16-10-6-4-7-11-16/h16H,3-15H2,1-2H3,(H,18,20).
What are the key properties of 3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea?
3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea has a molecular weight of 314.47 g/mol, XLogP of 3.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea is sourced from PubChem (CID 142463129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).