N-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide

C18H29NO — CID 516777

IUPACN-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide
SMILESO=C(NC1CCCCC1)C12CCCC3CC(CCC31)C2
InChIInChI=1S/C18H29NO/c20-17(19-15-6-2-1-3-7-15)18-10-4-5-14-11-13(12-18)8-9-16(14)18/h13-16H,1-12H2,(H,19,20)
InChIKeyWTDPQLXMGYVKBU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.04
Rot. Bonds2

About N-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide

N-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide (PubChem CID 516777) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide
PubChem CID516777
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide
SMILESO=C(NC1CCCCC1)C12CCCC3CC(CCC31)C2
InChIInChI=1S/C18H29NO/c20-17(19-15-6-2-1-3-7-15)18-10-4-5-14-11-13(12-18)8-9-16(14)18/h13-16H,1-12H2,(H,19,20)
InChIKeyWTDPQLXMGYVKBU-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide?
The IUPAC name of N-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide (CID 516777) is N-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide.
What is the SMILES notation for N-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide?
The canonical SMILES for N-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide is O=C(NC1CCCCC1)C12CCCC3CC(CCC31)C2.
What is the InChIKey of N-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide?
The InChIKey is WTDPQLXMGYVKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c20-17(19-15-6-2-1-3-7-15)18-10-4-5-14-11-13(12-18)8-9-16(14)18/h13-16H,1-12H2,(H,19,20).
What are the key properties of N-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide?
N-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide has a molecular weight of 275.44 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyltricyclo[5.3.1.03,8]undecane-3-carboxamide is sourced from PubChem (CID 516777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).