N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide

C15H26N2O3 — CID 113160273

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCCCC1)CC1CCCO1
InChIInChI=1S/C15H26N2O3/c1-13(18)17(11-14-7-6-10-20-14)12-15(19)16-8-4-2-3-5-9-16/h14H,2-12H2,1H3
InChIKeyNKUYJKFCSSJNQK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.42
Rot. Bonds4

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

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113160273) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113160273
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCCCC1)CC1CCCO1
InChIInChI=1S/C15H26N2O3/c1-13(18)17(11-14-7-6-10-20-14)12-15(19)16-8-4-2-3-5-9-16/h14H,2-12H2,1H3
InChIKeyNKUYJKFCSSJNQK-UHFFFAOYSA-N
XLogP1.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160269
N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide
CID 146092937
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160227
N-ethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 115590777
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
CID 97250924
2-bromo-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219383
2-bromo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219384
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 86825071
2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide
CID 97219655
N-(3-methoxypropyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113159997
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113117299
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160363

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (CID 113160273) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is CC(=O)N(CC(=O)N1CCCCCC1)CC1CCCO1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is NKUYJKFCSSJNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-13(18)17(11-14-7-6-10-20-14)12-15(19)16-8-4-2-3-5-9-16/h14H,2-12H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 282.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113160273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).