N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride

C21H31ClN2O — CID 11726191

IUPACN-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride
SMILESCCCCN(C(=O)c1ccc(C)cc1C)C1=CC2CCC(C1)N2C.Cl
InChIInChI=1S/C21H30N2O.ClH/c1-5-6-11-23(19-13-17-8-9-18(14-19)22(17)4)21(24)20-10-7-15(2)12-16(20)3;/h7,10,12-13,17-18H,5-6,8-9,11,14H2,1-4H3;1H
InChIKeyJLZDFPQSZLZDGL-UHFFFAOYSA-N
MW362.95 g/mol
LogP4.72
Rot. Bonds5

About N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride

N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride (PubChem CID 11726191) has the molecular formula C21H31ClN2O and a molecular weight of 362.95 g/mol. Its IUPAC name is N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride
PubChem CID11726191
Molecular FormulaC21H31ClN2O
Molecular Weight362.95 g/mol
Exact Mass362.21
IUPAC NameN-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride
SMILESCCCCN(C(=O)c1ccc(C)cc1C)C1=CC2CCC(C1)N2C.Cl
InChIInChI=1S/C21H30N2O.ClH/c1-5-6-11-23(19-13-17-8-9-18(14-19)22(17)4)21(24)20-10-7-15(2)12-16(20)3;/h7,10,12-13,17-18H,5-6,8-9,11,14H2,1-4H3;1H
InChIKeyJLZDFPQSZLZDGL-UHFFFAOYSA-N
XLogP4.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.95
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride?
The IUPAC name of N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride (CID 11726191) is N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride.
What is the SMILES notation for N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride?
The canonical SMILES for N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride is CCCCN(C(=O)c1ccc(C)cc1C)C1=CC2CCC(C1)N2C.Cl.
What is the InChIKey of N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride?
The InChIKey is JLZDFPQSZLZDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O.ClH/c1-5-6-11-23(19-13-17-8-9-18(14-19)22(17)4)21(24)20-10-7-15(2)12-16(20)3;/h7,10,12-13,17-18H,5-6,8-9,11,14H2,1-4H3;1H.
What are the key properties of N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride?
N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride has a molecular weight of 362.95 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 11726191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).