N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide

C20H30N2O — CID 22896964

IUPACN,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCCN(CC)C(=O)C1C(c2ccc(C)cc2)CC2CCC1N2C
InChIInChI=1S/C20H30N2O/c1-5-22(6-2)20(23)19-17(15-9-7-14(3)8-10-15)13-16-11-12-18(19)21(16)4/h7-10,16-19H,5-6,11-13H2,1-4H3
InChIKeyVWDKIWRYOHFUPV-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.43
Rot. Bonds4

About N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide

N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 22896964) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide
PubChem CID22896964
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCCN(CC)C(=O)C1C(c2ccc(C)cc2)CC2CCC1N2C
InChIInChI=1S/C20H30N2O/c1-5-22(6-2)20(23)19-17(15-9-7-14(3)8-10-15)13-16-11-12-18(19)21(16)4/h7-10,16-19H,5-6,11-13H2,1-4H3
InChIKeyVWDKIWRYOHFUPV-UHFFFAOYSA-N
XLogP3.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide (CID 22896964) is N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide is CCN(CC)C(=O)C1C(c2ccc(C)cc2)CC2CCC1N2C.
What is the InChIKey of N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is VWDKIWRYOHFUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-5-22(6-2)20(23)19-17(15-9-7-14(3)8-10-15)13-16-11-12-18(19)21(16)4/h7-10,16-19H,5-6,11-13H2,1-4H3.
What are the key properties of N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide?
N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 314.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 22896964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).