N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide

C20H22N2O — CID 162664057

IUPACN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide
SMILESO=C(NCC12CC(CN1Cc1ccccc1)C2)c1ccccc1
InChIInChI=1S/C20H22N2O/c23-19(18-9-5-2-6-10-18)21-15-20-11-17(12-20)14-22(20)13-16-7-3-1-4-8-16/h1-10,17H,11-15H2,(H,21,23)
InChIKeyWZJHXRFWIRNSLY-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.08
Rot. Bonds5

About N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide

N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide (PubChem CID 162664057) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide
PubChem CID162664057
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide
SMILESO=C(NCC12CC(CN1Cc1ccccc1)C2)c1ccccc1
InChIInChI=1S/C20H22N2O/c23-19(18-9-5-2-6-10-18)21-15-20-11-17(12-20)14-22(20)13-16-7-3-1-4-8-16/h1-10,17H,11-15H2,(H,21,23)
InChIKeyWZJHXRFWIRNSLY-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide?
The IUPAC name of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide (CID 162664057) is N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide?
The canonical SMILES for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide is O=C(NCC12CC(CN1Cc1ccccc1)C2)c1ccccc1.
What is the InChIKey of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide?
The InChIKey is WZJHXRFWIRNSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-19(18-9-5-2-6-10-18)21-15-20-11-17(12-20)14-22(20)13-16-7-3-1-4-8-16/h1-10,17H,11-15H2,(H,21,23).
What are the key properties of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide?
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide has a molecular weight of 306.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]benzamide is sourced from PubChem (CID 162664057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).