2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide

C14H26N2O3 — CID 56879289

IUPAC2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide
SMILESCCOC(C)CN(C)C(=O)C(=O)N1CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-4-19-12(2)11-15(3)13(17)14(18)16-9-7-5-6-8-10-16/h12H,4-11H2,1-3H3
InChIKeyVLCQELDYDBWXCO-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.27
Rot. Bonds4

About 2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide

2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide (PubChem CID 56879289) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide
PubChem CID56879289
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide
SMILESCCOC(C)CN(C)C(=O)C(=O)N1CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-4-19-12(2)11-15(3)13(17)14(18)16-9-7-5-6-8-10-16/h12H,4-11H2,1-3H3
InChIKeyVLCQELDYDBWXCO-UHFFFAOYSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide
CID 3229428
1-(Azepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 3229605
1-(Azepan-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 47015941
2-[[2-(Azepan-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide
CID 51102033
1-[2-(4-Methoxypiperidin-1-yl)-2-oxoethyl]azepane
CID 131899023
2-{N-[2-Oxo-2-(perhydro-1-azepinyl]ethyl]methylamino}ethanol
CID 14499650
2-[Methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 135175912
2-[Ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 135183248
2-[Butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 142388415
Ethane;2-[ethyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 142482349
2-(Azepan-1-yl)-1-morpholin-4-ylethanone;ethane
CID 143550802
2-(azepan-1-ium-1-yl)-N-(2-methoxyethyl)acetamide
CID 7436723

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide (CID 56879289) is 2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide is CCOC(C)CN(C)C(=O)C(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide?
The InChIKey is VLCQELDYDBWXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-19-12(2)11-15(3)13(17)14(18)16-9-7-5-6-8-10-16/h12H,4-11H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide?
2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide has a molecular weight of 270.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 56879289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).