2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide

C8H15N3O2 — CID 43509540

IUPAC2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide
SMILESCN(CCC#N)CC(=O)NCCO
InChIInChI=1S/C8H15N3O2/c1-11(5-2-3-9)7-8(13)10-4-6-12/h12H,2,4-7H2,1H3,(H,10,13)
InChIKeyNUPHEFJDBIKCET-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.06
Rot. Bonds6

About 2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide

2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide (PubChem CID 43509540) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide
PubChem CID43509540
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide
SMILESCN(CCC#N)CC(=O)NCCO
InChIInChI=1S/C8H15N3O2/c1-11(5-2-3-9)7-8(13)10-4-6-12/h12H,2,4-7H2,1H3,(H,10,13)
InChIKeyNUPHEFJDBIKCET-UHFFFAOYSA-N
XLogP-1.06
TPSA76.36 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 ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide (CID 43509540) is 2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide is CN(CCC#N)CC(=O)NCCO.
What is the InChIKey of 2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide?
The InChIKey is NUPHEFJDBIKCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-11(5-2-3-9)7-8(13)10-4-6-12/h12H,2,4-7H2,1H3,(H,10,13).
What are the key properties of 2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide?
2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide has a molecular weight of 185.23 g/mol, XLogP of -1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 43509540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).