3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea

C12H24N2O2 — CID 115618266

IUPAC3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea
SMILESCCOCCN(CC)C(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-14(9-10-16-4-2)12(15)13-11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyZCCHKMNJFNBDQR-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.00
Rot. Bonds6

About 3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea

3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea (PubChem CID 115618266) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea
PubChem CID115618266
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea
SMILESCCOCCN(CC)C(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-14(9-10-16-4-2)12(15)13-11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyZCCHKMNJFNBDQR-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.00
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
3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea
CID 102974783
1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea
CID 116658119
ethyl 2-[cyclohexylcarbamoyl(2-methoxyethyl)amino]acetate
CID 115585865
N-(2-ethoxyethyl)-N-ethylcyclopropanecarboxamide
CID 63717858
2-[cyclohexylcarbamoyl(ethyl)amino]acetamide
CID 103101665
3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 115573886
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 79386772
2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271342
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 55228473

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea?
The IUPAC name of 3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea (CID 115618266) is 3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea.
What is the SMILES notation for 3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea?
The canonical SMILES for 3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea is CCOCCN(CC)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea?
The InChIKey is ZCCHKMNJFNBDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-14(9-10-16-4-2)12(15)13-11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea?
3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea has a molecular weight of 228.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea is sourced from PubChem (CID 115618266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).