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

C20H31NO — CID 2830237

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C1CC2CCC1C2
InChIInChI=1S/C20H31NO/c1-12(18-8-13-2-3-17(18)7-13)21-19(22)20-9-14-4-15(10-20)6-16(5-14)11-20/h12-18H,2-11H2,1H3,(H,21,22)
InChIKeyPUADRQDIQCVJJS-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.14
Rot. Bonds3

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]adamantane-1-carboxamide (PubChem CID 2830237) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]adamantane-1-carboxamide
PubChem CID2830237
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C1CC2CCC1C2
InChIInChI=1S/C20H31NO/c1-12(18-8-13-2-3-17(18)7-13)21-19(22)20-9-14-4-15(10-20)6-16(5-14)11-20/h12-18H,2-11H2,1H3,(H,21,22)
InChIKeyPUADRQDIQCVJJS-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.14
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]adamantane-1-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]adamantane-1-carboxamide (CID 2830237) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]adamantane-1-carboxamide is CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]adamantane-1-carboxamide?
The InChIKey is PUADRQDIQCVJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-12(18-8-13-2-3-17(18)7-13)21-19(22)20-9-14-4-15(10-20)6-16(5-14)11-20/h12-18H,2-11H2,1H3,(H,21,22).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]adamantane-1-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]adamantane-1-carboxamide has a molecular weight of 301.47 g/mol, XLogP of 4.14, 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]adamantane-1-carboxamide is sourced from PubChem (CID 2830237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).