3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride

C25H31ClN2O — CID 2862069

IUPAC3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)N(CCc2ccccc2)C2=CC3CCC(C2)N3C)c1.Cl
InChIInChI=1S/C25H30N2O.ClH/c1-18-13-19(2)15-21(14-18)25(28)27(12-11-20-7-5-4-6-8-20)24-16-22-9-10-23(17-24)26(22)3;/h4-8,13-16,22-23H,9-12,17H2,1-3H3;1H
InChIKeyDQVGYZNMUJSYLO-UHFFFAOYSA-N
MW410.99 g/mol
LogP5.16
Rot. Bonds5

About 3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride

3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride (PubChem CID 2862069) has the molecular formula C25H31ClN2O and a molecular weight of 410.99 g/mol. Its IUPAC name is 3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride
PubChem CID2862069
Molecular FormulaC25H31ClN2O
Molecular Weight410.99 g/mol
Exact Mass410.21
IUPAC Name3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)N(CCc2ccccc2)C2=CC3CCC(C2)N3C)c1.Cl
InChIInChI=1S/C25H30N2O.ClH/c1-18-13-19(2)15-21(14-18)25(28)27(12-11-20-7-5-4-6-8-20)24-16-22-9-10-23(17-24)26(22)3;/h4-8,13-16,22-23H,9-12,17H2,1-3H3;1H
InChIKeyDQVGYZNMUJSYLO-UHFFFAOYSA-N
XLogP5.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.99
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride (CID 2862069) is 3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride is Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2=CC3CCC(C2)N3C)c1.Cl.
What is the InChIKey of 3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride?
The InChIKey is DQVGYZNMUJSYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O.ClH/c1-18-13-19(2)15-21(14-18)25(28)27(12-11-20-7-5-4-6-8-20)24-16-22-9-10-23(17-24)26(22)3;/h4-8,13-16,22-23H,9-12,17H2,1-3H3;1H.
What are the key properties of 3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride?
3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride has a molecular weight of 410.99 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide;hydrochloride is sourced from PubChem (CID 2862069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).