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

C20H23NO — CID 2933783

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
SMILESCC(NC(=O)c1cccc2ccccc12)C1CC2CCC1C2
InChIInChI=1S/C20H23NO/c1-13(19-12-14-9-10-16(19)11-14)21-20(22)18-8-4-6-15-5-2-3-7-17(15)18/h2-8,13-14,16,19H,9-12H2,1H3,(H,21,22)
InChIKeyXJRYSKXUKVVAET-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.39
Rot. Bonds3

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide (PubChem CID 2933783) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
PubChem CID2933783
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
SMILESCC(NC(=O)c1cccc2ccccc12)C1CC2CCC1C2
InChIInChI=1S/C20H23NO/c1-13(19-12-14-9-10-16(19)11-14)21-20(22)18-8-4-6-15-5-2-3-7-17(15)18/h2-8,13-14,16,19H,9-12H2,1H3,(H,21,22)
InChIKeyXJRYSKXUKVVAET-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.39
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]naphthalene-1-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide (CID 2933783) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide is CC(NC(=O)c1cccc2ccccc12)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide?
The InChIKey is XJRYSKXUKVVAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-13(19-12-14-9-10-16(19)11-14)21-20(22)18-8-4-6-15-5-2-3-7-17(15)18/h2-8,13-14,16,19H,9-12H2,1H3,(H,21,22).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 4.39, 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]naphthalene-1-carboxamide is sourced from PubChem (CID 2933783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).