1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea

C15H28N2O3 — CID 84588916

IUPAC1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
SMILESCOCCC1(CNC(=O)NC2CCCCC2OC)CC1
InChIInChI=1S/C15H28N2O3/c1-19-10-9-15(7-8-15)11-16-14(18)17-12-5-3-4-6-13(12)20-2/h12-13H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeyKUYGOAQCCIYVGY-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.06
Rot. Bonds7

About 1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea

1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea (PubChem CID 84588916) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
PubChem CID84588916
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
SMILESCOCCC1(CNC(=O)NC2CCCCC2OC)CC1
InChIInChI=1S/C15H28N2O3/c1-19-10-9-15(7-8-15)11-16-14(18)17-12-5-3-4-6-13(12)20-2/h12-13H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeyKUYGOAQCCIYVGY-UHFFFAOYSA-N
XLogP2.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea (CID 84588916) is 1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea is COCCC1(CNC(=O)NC2CCCCC2OC)CC1.
What is the InChIKey of 1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The InChIKey is KUYGOAQCCIYVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-19-10-9-15(7-8-15)11-16-14(18)17-12-5-3-4-6-13(12)20-2/h12-13H,3-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea has a molecular weight of 284.40 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 84588916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).