2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide

C13H24N2O2 — CID 3229427

IUPAC2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CCCCCC1)NCC1CCCO1
InChIInChI=1S/C13H24N2O2/c16-13(14-10-12-6-5-9-17-12)11-15-7-3-1-2-4-8-15/h12H,1-11H2,(H,14,16)
InChIKeyNCOSXFCLEZAKOB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds4

About 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3229427) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3229427
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CCCCCC1)NCC1CCCO1
InChIInChI=1S/C13H24N2O2/c16-13(14-10-12-6-5-9-17-12)11-15-7-3-1-2-4-8-15/h12H,1-11H2,(H,14,16)
InChIKeyNCOSXFCLEZAKOB-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide;oxalic acid
CID 16189490
N-[2-(morpholin-4-yl)ethyl]-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3772791
1-(Azepan-1-yl)-2-(oxolan-2-ylmethylamino)ethanone;oxalic acid
CID 16187401
N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide
CID 2883327
N-[3-(dimethylamino)propyl]-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3156710
N-(4-aminobutyl)-N-[2-[(2-amino-2-oxoethyl)-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-(tridecylamino)acetamide
CID 145981259
Cambridge id 6818627
CID 2915101
2-[(Oxolan-2-ylmethyl)amino]-1-(pyrrolidin-1-yl)ethan-1-one
CID 3229576
N,N-dimethyl-2-(oxolan-2-ylmethylamino)acetamide
CID 3229579
N,N-Bis(1-methylethyl)-2-[[(tetrahydro-2-furanyl)methyl]amino]propanamide
CID 3229586
1-(2-Methylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229572
1-(2-Ethylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229573

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 3229427) is 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1CCCCCC1)NCC1CCCO1.
What is the InChIKey of 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is NCOSXFCLEZAKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13(14-10-12-6-5-9-17-12)11-15-7-3-1-2-4-8-15/h12H,1-11H2,(H,14,16).
What are the key properties of 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3229427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).