N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide

C9H16N4O2 — CID 83021166

IUPACN-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide
SMILESN#CCCNC(=O)CNN1CCOCC1
InChIInChI=1S/C9H16N4O2/c10-2-1-3-11-9(14)8-12-13-4-6-15-7-5-13/h12H,1,3-8H2,(H,11,14)
InChIKeyYSRMAAHIBSIDPU-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.15
Rot. Bonds5

About N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide

N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide (PubChem CID 83021166) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide
PubChem CID83021166
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide
SMILESN#CCCNC(=O)CNN1CCOCC1
InChIInChI=1S/C9H16N4O2/c10-2-1-3-11-9(14)8-12-13-4-6-15-7-5-13/h12H,1,3-8H2,(H,11,14)
InChIKeyYSRMAAHIBSIDPU-UHFFFAOYSA-N
XLogP-1.15
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide 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

N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60697915
N-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide
CID 173466314
N-[2-(4-methoxyphenyl)ethyl]-2-(morpholin-4-ylamino)acetamide;hydrochloride
CID 43842037
N-(3-methylbutan-2-yl)-2-(morpholin-4-ylamino)acetamide
CID 83021379
2-(morpholin-4-ylamino)acetonitrile;hydrochloride
CID 10154291
N,N-dimethyl-2-(morpholin-4-ylamino)acetamide
CID 13366226
2-(morpholin-4-ylamino)-N-phenylacetamide
CID 83021933
N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163698
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2-cyanoethyl)acetamide
CID 43180244
[2-(2-cyanoethylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527550
N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide
CID 60689523
N-(2-cyanoethyl)-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetamide
CID 54967539

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide (CID 83021166) is N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide is N#CCCNC(=O)CNN1CCOCC1.
What is the InChIKey of N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide?
The InChIKey is YSRMAAHIBSIDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c10-2-1-3-11-9(14)8-12-13-4-6-15-7-5-13/h12H,1,3-8H2,(H,11,14).
What are the key properties of N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide?
N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide has a molecular weight of 212.25 g/mol, XLogP of -1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide is sourced from PubChem (CID 83021166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).