N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C17H27NO2 — CID 2930121

IUPACN-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NC3CCCCC3)(CC1=O)C2(C)C
InChIInChI=1S/C17H27NO2/c1-15(2)16(3)9-10-17(15,11-13(16)19)14(20)18-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,20)
InChIKeyYAHQIULGINJPAD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.22
Rot. Bonds2

About N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2930121) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2930121
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NC3CCCCC3)(CC1=O)C2(C)C
InChIInChI=1S/C17H27NO2/c1-15(2)16(3)9-10-17(15,11-13(16)19)14(20)18-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,20)
InChIKeyYAHQIULGINJPAD-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2930121) is N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)NC3CCCCC3)(CC1=O)C2(C)C.
What is the InChIKey of N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is YAHQIULGINJPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-15(2)16(3)9-10-17(15,11-13(16)19)14(20)18-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,20).
What are the key properties of N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2930121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).