N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide

C18H24N2O — CID 141077616

IUPACN-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
SMILESCN(CCc1ccccc1)C(=O)C1=CCN2CCCC1C2
InChIInChI=1S/C18H24N2O/c1-19(12-9-15-6-3-2-4-7-15)18(21)17-10-13-20-11-5-8-16(17)14-20/h2-4,6-7,10,16H,5,8-9,11-14H2,1H3
InChIKeyRQLPTGXXMCXGRR-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.34
Rot. Bonds4

About N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide

N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide (PubChem CID 141077616) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
PubChem CID141077616
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
SMILESCN(CCc1ccccc1)C(=O)C1=CCN2CCCC1C2
InChIInChI=1S/C18H24N2O/c1-19(12-9-15-6-3-2-4-7-15)18(21)17-10-13-20-11-5-8-16(17)14-20/h2-4,6-7,10,16H,5,8-9,11-14H2,1H3
InChIKeyRQLPTGXXMCXGRR-UHFFFAOYSA-N
XLogP2.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide?
The IUPAC name of N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide (CID 141077616) is N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide is CN(CCc1ccccc1)C(=O)C1=CCN2CCCC1C2.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide?
The InChIKey is RQLPTGXXMCXGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-19(12-9-15-6-3-2-4-7-15)18(21)17-10-13-20-11-5-8-16(17)14-20/h2-4,6-7,10,16H,5,8-9,11-14H2,1H3.
What are the key properties of N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide?
N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide is sourced from PubChem (CID 141077616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).