N-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide

C18H26N2O — CID 131654664

IUPACN-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide
SMILESCN1CC2CCCC(C1)C2CC(=O)NCc1ccccc1
InChIInChI=1S/C18H26N2O/c1-20-12-15-8-5-9-16(13-20)17(15)10-18(21)19-11-14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3,(H,19,21)
InChIKeySLYWBXOYVVWHCI-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.67
Rot. Bonds4

About N-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide

N-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide (PubChem CID 131654664) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide
PubChem CID131654664
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide
SMILESCN1CC2CCCC(C1)C2CC(=O)NCc1ccccc1
InChIInChI=1S/C18H26N2O/c1-20-12-15-8-5-9-16(13-20)17(15)10-18(21)19-11-14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3,(H,19,21)
InChIKeySLYWBXOYVVWHCI-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide?
The IUPAC name of N-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide (CID 131654664) is N-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide?
The canonical SMILES for N-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide is CN1CC2CCCC(C1)C2CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide?
The InChIKey is SLYWBXOYVVWHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-20-12-15-8-5-9-16(13-20)17(15)10-18(21)19-11-14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide?
N-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide has a molecular weight of 286.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetamide is sourced from PubChem (CID 131654664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).