N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide

C11H19N3O — CID 104577956

IUPACN-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide
SMILESCC(C)(NCC(=O)NCCC#N)C1CC1
InChIInChI=1S/C11H19N3O/c1-11(2,9-4-5-9)14-8-10(15)13-7-3-6-12/h9,14H,3-5,7-8H2,1-2H3,(H,13,15)
InChIKeyIGLPDARDFXOXGZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.79
Rot. Bonds6

About N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide

N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide (PubChem CID 104577956) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide
PubChem CID104577956
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide
SMILESCC(C)(NCC(=O)NCCC#N)C1CC1
InChIInChI=1S/C11H19N3O/c1-11(2,9-4-5-9)14-8-10(15)13-7-3-6-12/h9,14H,3-5,7-8H2,1-2H3,(H,13,15)
InChIKeyIGLPDARDFXOXGZ-UHFFFAOYSA-N
XLogP0.79
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Cyclopropyl-5-methylpiperazin-2-one
CID 84020924
2-(azepan-1-yl)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 8160162
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl(2-methylpropyl)amino]acetamide
CID 40037164
N-(1-cyano-1-cyclopropylethyl)-2-[(3,3-dimethylbutan-2-yl)(methyl)amino]acetamide
CID 45810943
N-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 47006731
N-(1-cyano-1-cyclopropylethyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 47006735
N-(1-cyano-1-cyclopropylethyl)-2-[methyl(4-methylpentan-2-yl)amino]acetamide
CID 51077619
2-[but-2-ynyl(prop-2-ynyl)amino]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 97584545
2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103950035
N-(1-cyano-1-cyclopropylethyl)-2-[cyclopropyl(2-methylpropyl)amino]acetamide
CID 42954973
N-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide
CID 47008907
N-(1-cyano-1,2-dimethylpropyl)-2-[(1-cyclopropylethyl)(methyl)amino]acetamide
CID 47023446

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide (CID 104577956) is N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide is CC(C)(NCC(=O)NCCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide?
The InChIKey is IGLPDARDFXOXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,9-4-5-9)14-8-10(15)13-7-3-6-12/h9,14H,3-5,7-8H2,1-2H3,(H,13,15).
What are the key properties of N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide?
N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide has a molecular weight of 209.29 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide is sourced from PubChem (CID 104577956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).