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

C19H27ClN2O — CID 22896754

IUPAC3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCCN(CC)C(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C
InChIInChI=1S/C19H27ClN2O/c1-4-22(5-2)19(23)18-16(13-6-8-14(20)9-7-13)12-15-10-11-17(18)21(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3
InChIKeyHVKNYGIHMRFIPC-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.77
Rot. Bonds4

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

3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 22896754) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
PubChem CID22896754
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCCN(CC)C(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C
InChIInChI=1S/C19H27ClN2O/c1-4-22(5-2)19(23)18-16(13-6-8-14(20)9-7-13)12-15-10-11-17(18)21(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3
InChIKeyHVKNYGIHMRFIPC-UHFFFAOYSA-N
XLogP3.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide (CID 22896754) is 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide is CCN(CC)C(=O)C1C(c2ccc(Cl)cc2)CC2CCC1N2C.
What is the InChIKey of 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is HVKNYGIHMRFIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-4-22(5-2)19(23)18-16(13-6-8-14(20)9-7-13)12-15-10-11-17(18)21(15)3/h6-9,15-18H,4-5,10-12H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide?
3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 334.89 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 22896754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).