N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide

C16H27NO — CID 3516006

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C1CC2CCC1C2
InChIInChI=1S/C16H27NO/c1-11(15-10-12-7-8-14(15)9-12)17-16(18)13-5-3-2-4-6-13/h11-15H,2-10H2,1H3,(H,17,18)
InChIKeyFEEJEUYWKNWURC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.51
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide (PubChem CID 3516006) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide
PubChem CID3516006
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C1CC2CCC1C2
InChIInChI=1S/C16H27NO/c1-11(15-10-12-7-8-14(15)9-12)17-16(18)13-5-3-2-4-6-13/h11-15H,2-10H2,1H3,(H,17,18)
InChIKeyFEEJEUYWKNWURC-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide (CID 3516006) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide is CC(NC(=O)C1CCCCC1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide?
The InChIKey is FEEJEUYWKNWURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(15-10-12-7-8-14(15)9-12)17-16(18)13-5-3-2-4-6-13/h11-15H,2-10H2,1H3,(H,17,18).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide has a molecular weight of 249.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 3516006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).