1-ethoxy-3-(2-hydroxycyclohexyl)urea

C9H18N2O3 — CID 91661385

IUPAC1-ethoxy-3-(2-hydroxycyclohexyl)urea
SMILESCCONC(=O)NC1CCCCC1O
InChIInChI=1S/C9H18N2O3/c1-2-14-11-9(13)10-7-5-3-4-6-8(7)12/h7-8,12H,2-6H2,1H3,(H2,10,11,13)
InChIKeyJKECPZLXEJKFCU-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.54
Rot. Bonds3

About 1-ethoxy-3-(2-hydroxycyclohexyl)urea

1-ethoxy-3-(2-hydroxycyclohexyl)urea (PubChem CID 91661385) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-ethoxy-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-ethoxy-3-(2-hydroxycyclohexyl)urea
PubChem CID91661385
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-ethoxy-3-(2-hydroxycyclohexyl)urea
SMILESCCONC(=O)NC1CCCCC1O
InChIInChI=1S/C9H18N2O3/c1-2-14-11-9(13)10-7-5-3-4-6-8(7)12/h7-8,12H,2-6H2,1H3,(H2,10,11,13)
InChIKeyJKECPZLXEJKFCU-UHFFFAOYSA-N
XLogP0.54
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea
CID 111542825
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956604
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 104957388
1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea
CID 111428425
2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide
CID 86592928
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107221949
butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate
CID 160683329

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-ethoxy-3-(2-hydroxycyclohexyl)urea (CID 91661385) is 1-ethoxy-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-ethoxy-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-ethoxy-3-(2-hydroxycyclohexyl)urea is CCONC(=O)NC1CCCCC1O.
What is the InChIKey of 1-ethoxy-3-(2-hydroxycyclohexyl)urea?
The InChIKey is JKECPZLXEJKFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-14-11-9(13)10-7-5-3-4-6-8(7)12/h7-8,12H,2-6H2,1H3,(H2,10,11,13).
What are the key properties of 1-ethoxy-3-(2-hydroxycyclohexyl)urea?
1-ethoxy-3-(2-hydroxycyclohexyl)urea has a molecular weight of 202.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 91661385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).