1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea

C11H22N2O3 — CID 59155360

IUPAC1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea
SMILESCCCNC(=O)N(O)C1CCCCC1OC
InChIInChI=1S/C11H22N2O3/c1-3-8-12-11(14)13(15)9-6-4-5-7-10(9)16-2/h9-10,15H,3-8H2,1-2H3,(H,12,14)
InChIKeyWQOKLAYMZBAXHQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.75
Rot. Bonds4

About 1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea

1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea (PubChem CID 59155360) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea.

Molecular Properties

Compound Name1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea
PubChem CID59155360
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea
SMILESCCCNC(=O)N(O)C1CCCCC1OC
InChIInChI=1S/C11H22N2O3/c1-3-8-12-11(14)13(15)9-6-4-5-7-10(9)16-2/h9-10,15H,3-8H2,1-2H3,(H,12,14)
InChIKeyWQOKLAYMZBAXHQ-UHFFFAOYSA-N
XLogP1.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea?
The IUPAC name of 1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea (CID 59155360) is 1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea.
What is the SMILES notation for 1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea?
The canonical SMILES for 1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea is CCCNC(=O)N(O)C1CCCCC1OC.
What is the InChIKey of 1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea?
The InChIKey is WQOKLAYMZBAXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-8-12-11(14)13(15)9-6-4-5-7-10(9)16-2/h9-10,15H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea?
1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea has a molecular weight of 230.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea is sourced from PubChem (CID 59155360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).