N-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide

C13H22N2O2 — CID 19752081

IUPACN-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide
SMILESCC(=O)NCC1(NC(C)=O)CCC2CCC1C2
InChIInChI=1S/C13H22N2O2/c1-9(16)14-8-13(15-10(2)17)6-5-11-3-4-12(13)7-11/h11-12H,3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeySSEAXZWZAAUYFR-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.21
Rot. Bonds3

About N-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide

N-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide (PubChem CID 19752081) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide
PubChem CID19752081
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide
SMILESCC(=O)NCC1(NC(C)=O)CCC2CCC1C2
InChIInChI=1S/C13H22N2O2/c1-9(16)14-8-13(15-10(2)17)6-5-11-3-4-12(13)7-11/h11-12H,3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeySSEAXZWZAAUYFR-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide?
The IUPAC name of N-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide (CID 19752081) is N-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide.
What is the SMILES notation for N-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide?
The canonical SMILES for N-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide is CC(=O)NCC1(NC(C)=O)CCC2CCC1C2.
What is the InChIKey of N-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide?
The InChIKey is SSEAXZWZAAUYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(16)14-8-13(15-10(2)17)6-5-11-3-4-12(13)7-11/h11-12H,3-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide?
N-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide has a molecular weight of 238.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-acetamido-2-bicyclo[3.2.1]octanyl)methyl]acetamide is sourced from PubChem (CID 19752081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).