1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea

C17H28N2O2 — CID 110892558

IUPAC1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
SMILESO=C(NC1CCC(O)CC1)NC1CC2CC1C1CCCC21
InChIInChI=1S/C17H28N2O2/c20-12-6-4-11(5-7-12)18-17(21)19-16-9-10-8-15(16)14-3-1-2-13(10)14/h10-16,20H,1-9H2,(H2,18,19,21)
InChIKeyBIPZDLGYOSXONS-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.41
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea

1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea (PubChem CID 110892558) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
PubChem CID110892558
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
SMILESO=C(NC1CCC(O)CC1)NC1CC2CC1C1CCCC21
InChIInChI=1S/C17H28N2O2/c20-12-6-4-11(5-7-12)18-17(21)19-16-9-10-8-15(16)14-3-1-2-13(10)14/h10-16,20H,1-9H2,(H2,18,19,21)
InChIKeyBIPZDLGYOSXONS-UHFFFAOYSA-N
XLogP2.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-propan-2-ylpiperidin-4-yl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124864947
N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentanecarboxamide
CID 124785473
1-(2-phenylethyl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124739144
1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124739142
cis-(1S,2R)-2-(8-tricyclo[5.2.1.02,6]decanylcarbamoyl)cyclopropane-1-carboxylic acid
CID 114091906
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43700055
2-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 43710212
3-amino-2,2,3-trimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 65264411
1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea
CID 47164010
2-amino-2-ethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 79809442
4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
CID 50909108
N-(8-tricyclo[5.2.1.02,6]decanyl)pyrrolidine-3-carboxamide
CID 63005281

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea (CID 110892558) is 1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea is O=C(NC1CCC(O)CC1)NC1CC2CC1C1CCCC21.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The InChIKey is BIPZDLGYOSXONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-12-6-4-11(5-7-12)18-17(21)19-16-9-10-8-15(16)14-3-1-2-13(10)14/h10-16,20H,1-9H2,(H2,18,19,21).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea has a molecular weight of 292.42 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea is sourced from PubChem (CID 110892558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).