N-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

C17H28N2O2 — CID 71936155

IUPACN-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O2/c20-16-3-1-14(2-4-16)18-17(21)19-10-13-6-11-5-12(7-13)9-15(19)8-11/h11-16,20H,1-10H2,(H,18,21)
InChIKeyKELDVXMUFDPPPU-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.51
Rot. Bonds1

About N-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

N-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (PubChem CID 71936155) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
PubChem CID71936155
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O2/c20-16-3-1-14(2-4-16)18-17(21)19-10-13-6-11-5-12(7-13)9-15(19)8-11/h11-16,20H,1-10H2,(H,18,21)
InChIKeyKELDVXMUFDPPPU-UHFFFAOYSA-N
XLogP2.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (CID 71936155) is N-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is O=C(NC1CCC(O)CC1)N1CC2CC3CC(C2)CC1C3.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The InChIKey is KELDVXMUFDPPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16-3-1-14(2-4-16)18-17(21)19-10-13-6-11-5-12(7-13)9-15(19)8-11/h11-16,20H,1-10H2,(H,18,21).
What are the key properties of N-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
N-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is sourced from PubChem (CID 71936155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).