N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide

C10H15N3O3 — CID 43613314

IUPACN-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide
SMILESCCC1COCCN1C(=O)C(=O)NCC#N
InChIInChI=1S/C10H15N3O3/c1-2-8-7-16-6-5-13(8)10(15)9(14)12-4-3-11/h8H,2,4-7H2,1H3,(H,12,14)
InChIKeyJFYRGFWAESVWPX-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.74
Rot. Bonds2

About N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide

N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide (PubChem CID 43613314) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide
PubChem CID43613314
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide
SMILESCCC1COCCN1C(=O)C(=O)NCC#N
InChIInChI=1S/C10H15N3O3/c1-2-8-7-16-6-5-13(8)10(15)9(14)12-4-3-11/h8H,2,4-7H2,1H3,(H,12,14)
InChIKeyJFYRGFWAESVWPX-UHFFFAOYSA-N
XLogP-0.74
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
4-[2-(cyanomethylamino)-2-oxoacetyl]-N-propylmorpholine-3-carboxamide
CID 83097670
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838
1-(3-ethylmorpholin-4-yl)but-2-en-1-one
CID 78966287
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
2-amino-1-(3-ethylmorpholin-4-yl)-2-methylpentan-1-one
CID 60848587
(3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63714102
(3-ethylmorpholin-4-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66266572

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide?
The IUPAC name of N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide (CID 43613314) is N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide?
The canonical SMILES for N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide is CCC1COCCN1C(=O)C(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide?
The InChIKey is JFYRGFWAESVWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-8-7-16-6-5-13(8)10(15)9(14)12-4-3-11/h8H,2,4-7H2,1H3,(H,12,14).
What are the key properties of N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide?
N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide has a molecular weight of 225.25 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 43613314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).