1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea

C18H32N2O2 — CID 102558072

IUPAC1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea
SMILESCCC1CCC(CNC(=O)NC2C3CCOC3C2(C)C)CC1
InChIInChI=1S/C18H32N2O2/c1-4-12-5-7-13(8-6-12)11-19-17(21)20-15-14-9-10-22-16(14)18(15,2)3/h12-16H,4-11H2,1-3H3,(H2,19,20,21)
InChIKeyBNAZNRLIZJRSIB-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.32
Rot. Bonds4

About 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea

1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea (PubChem CID 102558072) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea
PubChem CID102558072
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea
SMILESCCC1CCC(CNC(=O)NC2C3CCOC3C2(C)C)CC1
InChIInChI=1S/C18H32N2O2/c1-4-12-5-7-13(8-6-12)11-19-17(21)20-15-14-9-10-22-16(14)18(15,2)3/h12-16H,4-11H2,1-3H3,(H2,19,20,21)
InChIKeyBNAZNRLIZJRSIB-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea?
The IUPAC name of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea (CID 102558072) is 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea?
The canonical SMILES for 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea is CCC1CCC(CNC(=O)NC2C3CCOC3C2(C)C)CC1.
What is the InChIKey of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea?
The InChIKey is BNAZNRLIZJRSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-4-12-5-7-13(8-6-12)11-19-17(21)20-15-14-9-10-22-16(14)18(15,2)3/h12-16H,4-11H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea?
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea has a molecular weight of 308.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(4-ethylcyclohexyl)methyl]urea is sourced from PubChem (CID 102558072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).