1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C17H28N2O2 — CID 75426482

IUPAC1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NC1CC2CCC1O2)N(CC1CC1)C1CCCCC1
InChIInChI=1S/C17H28N2O2/c20-17(18-15-10-14-8-9-16(15)21-14)19(11-12-6-7-12)13-4-2-1-3-5-13/h12-16H,1-11H2,(H,18,20)
InChIKeyGUTXMNDVYQYIRA-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.06
Rot. Bonds4

About 1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 75426482) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID75426482
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NC1CC2CCC1O2)N(CC1CC1)C1CCCCC1
InChIInChI=1S/C17H28N2O2/c20-17(18-15-10-14-8-9-16(15)21-14)19(11-12-6-7-12)13-4-2-1-3-5-13/h12-16H,1-11H2,(H,18,20)
InChIKeyGUTXMNDVYQYIRA-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 75426482) is 1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is O=C(NC1CC2CCC1O2)N(CC1CC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is GUTXMNDVYQYIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-17(18-15-10-14-8-9-16(15)21-14)19(11-12-6-7-12)13-4-2-1-3-5-13/h12-16H,1-11H2,(H,18,20).
What are the key properties of 1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 292.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(cyclopropylmethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 75426482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).