3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea

C13H26N2O2 — CID 110896342

IUPAC3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCCCC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-2-15(10-11-16)13(17)14-9-5-8-12-6-3-4-7-12/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeyHYOOJENWZHGYBM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.98
Rot. Bonds7

About 3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea

3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 110896342) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID110896342
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCCCC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-2-15(10-11-16)13(17)14-9-5-8-12-6-3-4-7-12/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeyHYOOJENWZHGYBM-UHFFFAOYSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclohexylethyl)-3-ethyl-1-(2-hydroxyethyl)urea
CID 150984877
1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea
CID 15541416
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
CID 61207638
3-[tert-butyl(3-cyclopentylpropylcarbamoyl)amino]propanoic acid
CID 106005357
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111435372
1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 70023388
3-cyclohexylpropylcarbamic acid
CID 54479876
(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
CID 103795274
3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108912176
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108882833
3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea
CID 87007292

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea (CID 110896342) is 3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)NCCCC1CCCC1.
What is the InChIKey of 3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is HYOOJENWZHGYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-15(10-11-16)13(17)14-9-5-8-12-6-3-4-7-12/h12,16H,2-11H2,1H3,(H,14,17).
What are the key properties of 3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea?
3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 242.36 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110896342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).