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

C17H29NO — CID 2885013

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(C)CCCCC1)C1CC2CCC1C2
InChIInChI=1S/C17H29NO/c1-12(15-11-13-6-7-14(15)10-13)18-16(19)17(2)8-4-3-5-9-17/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyZEDXCBOWIYGFBY-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.90
Rot. Bonds3

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 2885013) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylcyclohexane-1-carboxamide
PubChem CID2885013
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(C)CCCCC1)C1CC2CCC1C2
InChIInChI=1S/C17H29NO/c1-12(15-11-13-6-7-14(15)10-13)18-16(19)17(2)8-4-3-5-9-17/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyZEDXCBOWIYGFBY-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.90
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]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylcyclohexane-1-carboxamide (CID 2885013) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylcyclohexane-1-carboxamide is CC(NC(=O)C1(C)CCCCC1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is ZEDXCBOWIYGFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(15-11-13-6-7-14(15)10-13)18-16(19)17(2)8-4-3-5-9-17/h12-15H,3-11H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylcyclohexane-1-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 263.42 g/mol, XLogP of 3.90, 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]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 2885013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).