N-(azepan-1-yl)acetamide

C8H16N2O — CID 59684283

IUPACN-(azepan-1-yl)acetamide
SMILESCC(=O)NN1CCCCCC1
InChIInChI=1S/C8H16N2O/c1-8(11)9-10-6-4-2-3-5-7-10/h2-7H2,1H3,(H,9,11)
InChIKeyOXGOZFMBRNBENC-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.91
Rot. Bonds1

About N-(azepan-1-yl)acetamide

N-(azepan-1-yl)acetamide (PubChem CID 59684283) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(azepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(azepan-1-yl)acetamide
PubChem CID59684283
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(azepan-1-yl)acetamide
SMILESCC(=O)NN1CCCCCC1
InChIInChI=1S/C8H16N2O/c1-8(11)9-10-6-4-2-3-5-7-10/h2-7H2,1H3,(H,9,11)
InChIKeyOXGOZFMBRNBENC-UHFFFAOYSA-N
XLogP0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azepan-1-yl)acetamide?
The IUPAC name of N-(azepan-1-yl)acetamide (CID 59684283) is N-(azepan-1-yl)acetamide.
What is the SMILES notation for N-(azepan-1-yl)acetamide?
The canonical SMILES for N-(azepan-1-yl)acetamide is CC(=O)NN1CCCCCC1.
What is the InChIKey of N-(azepan-1-yl)acetamide?
The InChIKey is OXGOZFMBRNBENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(11)9-10-6-4-2-3-5-7-10/h2-7H2,1H3,(H,9,11).
What are the key properties of N-(azepan-1-yl)acetamide?
N-(azepan-1-yl)acetamide has a molecular weight of 156.23 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-1-yl)acetamide is sourced from PubChem (CID 59684283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).