1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone

C13H24N2O2 — CID 43610166

IUPAC1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone
SMILESO=C(CNC1CCOCC1)N1CCCCCC1
InChIInChI=1S/C13H24N2O2/c16-13(15-7-3-1-2-4-8-15)11-14-12-5-9-17-10-6-12/h12,14H,1-11H2
InChIKeyWAFLOSQDLLECFL-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds3

About 1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone

1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone (PubChem CID 43610166) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone
PubChem CID43610166
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone
SMILESO=C(CNC1CCOCC1)N1CCCCCC1
InChIInChI=1S/C13H24N2O2/c16-13(15-7-3-1-2-4-8-15)11-14-12-5-9-17-10-6-12/h12,14H,1-11H2
InChIKeyWAFLOSQDLLECFL-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Oxan-4-yl)piperazin-2-one
CID 55296257
N-(oxan-4-yl)-2-(5,5,5-trifluoropentylamino)acetamide
CID 115518666
6-(Methylamino)-4-(oxan-2-ylmethyl)-1,4-oxazepan-5-one
CID 22985258
2-(Oxan-4-ylamino)-1-piperidin-1-ylethanone
CID 43610165
N-(oxan-4-yl)-2-piperazin-1-ylacetamide
CID 43610462
4-(Oxan-4-yl)piperazin-2-one
CID 57586044
2-(4-aminopiperidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63100189
N-(oxan-4-yl)-2-piperidin-1-ylacetamide
CID 68444771
2-acetamido-N-(oxan-4-yl)acetamide
CID 118136880
2-acetamido-N-(oxan-4-yl)propanamide
CID 118429113
Molecular hydrogen;1-(oxan-4-yl)piperazin-2-one
CID 143796213
2-(methylamino)-N-(oxan-4-yl)hexanamide
CID 164133036

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone (CID 43610166) is 1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone is O=C(CNC1CCOCC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone?
The InChIKey is WAFLOSQDLLECFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13(15-7-3-1-2-4-8-15)11-14-12-5-9-17-10-6-12/h12,14H,1-11H2.
What are the key properties of 1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone?
1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone has a molecular weight of 240.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone is sourced from PubChem (CID 43610166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).