2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide

C8H15N3O2 — CID 79478469

IUPAC2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide
SMILESCC(CC#N)NC(=O)COCCN
InChIInChI=1S/C8H15N3O2/c1-7(2-3-9)11-8(12)6-13-5-4-10/h7H,2,4-6,10H2,1H3,(H,11,12)
InChIKeyNCJXLHFOXJXPTQ-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.62
Rot. Bonds6

About 2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide

2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide (PubChem CID 79478469) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide
PubChem CID79478469
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide
SMILESCC(CC#N)NC(=O)COCCN
InChIInChI=1S/C8H15N3O2/c1-7(2-3-9)11-8(12)6-13-5-4-10/h7H,2,4-6,10H2,1H3,(H,11,12)
InChIKeyNCJXLHFOXJXPTQ-UHFFFAOYSA-N
XLogP-0.62
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 115740075
5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid
CID 82846274
2-(2-aminoethoxy)-N-(1-ethylsulfanylpropan-2-yl)acetamide
CID 115739921
2-(2-aminoethoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79479783
2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide
CID 79478783
2-(2-aminoethoxy)-N-(1-methoxybutan-2-yl)acetamide
CID 79478592
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 175808420
N-[(2R)-1-cyanopropan-2-yl]acetamide
CID 55299754
2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide
CID 112701701
(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide
CID 62093737
N-(1-cyanopropan-2-yl)-3-(methylamino)propanamide
CID 62094089
2-(2-aminoethoxy)-N-hexan-3-ylacetamide
CID 79478574

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide (CID 79478469) is 2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide is CC(CC#N)NC(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide?
The InChIKey is NCJXLHFOXJXPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-7(2-3-9)11-8(12)6-13-5-4-10/h7H,2,4-6,10H2,1H3,(H,11,12).
What are the key properties of 2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide?
2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide has a molecular weight of 185.23 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide is sourced from PubChem (CID 79478469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).