N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide

C18H26N2O — CID 24746947

IUPACN-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
SMILESCC(=O)NC1CC2CCCC(C1)N2Cc1ccc(C)cc1
InChIInChI=1S/C18H26N2O/c1-13-6-8-15(9-7-13)12-20-17-4-3-5-18(20)11-16(10-17)19-14(2)21/h6-9,16-18H,3-5,10-12H2,1-2H3,(H,19,21)
InChIKeySTPOZDWBYSLABS-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.02
Rot. Bonds3

About N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide

N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide (PubChem CID 24746947) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
PubChem CID24746947
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
SMILESCC(=O)NC1CC2CCCC(C1)N2Cc1ccc(C)cc1
InChIInChI=1S/C18H26N2O/c1-13-6-8-15(9-7-13)12-20-17-4-3-5-18(20)11-16(10-17)19-14(2)21/h6-9,16-18H,3-5,10-12H2,1-2H3,(H,19,21)
InChIKeySTPOZDWBYSLABS-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The IUPAC name of N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide (CID 24746947) is N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide.
What is the SMILES notation for N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The canonical SMILES for N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide is CC(=O)NC1CC2CCCC(C1)N2Cc1ccc(C)cc1.
What is the InChIKey of N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The InChIKey is STPOZDWBYSLABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-6-8-15(9-7-13)12-20-17-4-3-5-18(20)11-16(10-17)19-14(2)21/h6-9,16-18H,3-5,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide has a molecular weight of 286.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide is sourced from PubChem (CID 24746947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).