N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide

C11H19N3O — CID 79286034

IUPACN-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(CCC#N)C(C)C
InChIInChI=1S/C11H19N3O/c1-4-7-13-9-11(15)14(10(2)3)8-5-6-12/h4,10,13H,1,5,7-9H2,2-3H3
InChIKeyDZTQFWKKFBMPSF-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.91
Rot. Bonds7

About N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide

N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide (PubChem CID 79286034) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide
PubChem CID79286034
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(CCC#N)C(C)C
InChIInChI=1S/C11H19N3O/c1-4-7-13-9-11(15)14(10(2)3)8-5-6-12/h4,10,13H,1,5,7-9H2,2-3H3
InChIKeyDZTQFWKKFBMPSF-UHFFFAOYSA-N
XLogP0.91
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide (CID 79286034) is N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(CCC#N)C(C)C.
What is the InChIKey of N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide?
The InChIKey is DZTQFWKKFBMPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-7-13-9-11(15)14(10(2)3)8-5-6-12/h4,10,13H,1,5,7-9H2,2-3H3.
What are the key properties of N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide?
N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide has a molecular weight of 209.29 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79286034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).