2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide

C17H30N2O — CID 79607861

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C17H30N2O/c1-12-3-7-16(8-4-12)19(2)17(20)11-13-9-14-5-6-15(10-13)18-14/h12-16,18H,3-11H2,1-2H3
InChIKeyUAYJJINGRGPNIK-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.94
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 79607861) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID79607861
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C17H30N2O/c1-12-3-7-16(8-4-12)19(2)17(20)11-13-9-14-5-6-15(10-13)18-14/h12-16,18H,3-11H2,1-2H3
InChIKeyUAYJJINGRGPNIK-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 79607861) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)CC2CC3CCC(C2)N3)CC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is UAYJJINGRGPNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12-3-7-16(8-4-12)19(2)17(20)11-13-9-14-5-6-15(10-13)18-14/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 278.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 79607861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).