2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide

C10H19N3O3 — CID 112673980

IUPAC2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide
SMILESNC(=O)CONCC(=O)N1CCCCCC1
InChIInChI=1S/C10H19N3O3/c11-9(14)8-16-12-7-10(15)13-5-3-1-2-4-6-13/h12H,1-8H2,(H2,11,14)
InChIKeyMJKOEORQEDWORC-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.60
Rot. Bonds5

About 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide

2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide (PubChem CID 112673980) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide.

Molecular Properties

Compound Name2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide
PubChem CID112673980
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide
SMILESNC(=O)CONCC(=O)N1CCCCCC1
InChIInChI=1S/C10H19N3O3/c11-9(14)8-16-12-7-10(15)13-5-3-1-2-4-6-13/h12H,1-8H2,(H2,11,14)
InChIKeyMJKOEORQEDWORC-UHFFFAOYSA-N
XLogP-0.60
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(azepan-1-yl)-2-(2,2,2-trifluoroethoxyamino)ethanone
CID 82721281
(2-oxo-2-piperidin-1-ylethyl) carbamate
CID 175217966
2-(cyclohexylmethylamino)oxyacetamide
CID 112672783
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
[2-(azepan-1-yl)-2-oxoethyl] cyclohexanecarboxylate
CID 78759962
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 2771373
N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide
CID 112550660
N-[2-(2-amino-2-oxoethoxy)ethyl]piperidine-1-carboxamide
CID 103816389
N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 112550543
2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide?
The IUPAC name of 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide (CID 112673980) is 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide.
What is the SMILES notation for 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide?
The canonical SMILES for 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide is NC(=O)CONCC(=O)N1CCCCCC1.
What is the InChIKey of 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide?
The InChIKey is MJKOEORQEDWORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c11-9(14)8-16-12-7-10(15)13-5-3-1-2-4-6-13/h12H,1-8H2,(H2,11,14).
What are the key properties of 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide?
2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide has a molecular weight of 229.28 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide is sourced from PubChem (CID 112673980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).