3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea

C17H32N2O3 — CID 71686959

IUPAC3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea
SMILESCOCCN(CC1(C)CCOCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H32N2O3/c1-17(8-11-22-12-9-17)14-19(10-13-21-2)16(20)18-15-6-4-3-5-7-15/h15H,3-14H2,1-2H3,(H,18,20)
InChIKeyRXTFLBWBDBZOGQ-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.79
Rot. Bonds6

About 3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea

3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea (PubChem CID 71686959) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea
PubChem CID71686959
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea
SMILESCOCCN(CC1(C)CCOCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H32N2O3/c1-17(8-11-22-12-9-17)14-19(10-13-21-2)16(20)18-15-6-4-3-5-7-15/h15H,3-14H2,1-2H3,(H,18,20)
InChIKeyRXTFLBWBDBZOGQ-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea?
The IUPAC name of 3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea (CID 71686959) is 3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea?
The canonical SMILES for 3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea is COCCN(CC1(C)CCOCC1)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea?
The InChIKey is RXTFLBWBDBZOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(8-11-22-12-9-17)14-19(10-13-21-2)16(20)18-15-6-4-3-5-7-15/h15H,3-14H2,1-2H3,(H,18,20).
What are the key properties of 3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea?
3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea has a molecular weight of 312.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea is sourced from PubChem (CID 71686959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).