N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide

C11H15N3O — CID 79286595

IUPACN-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCC#N)C1CC1
InChIInChI=1S/C11H15N3O/c1-2-7-13-9-11(15)14(8-3-6-12)10-4-5-10/h1,10,13H,3-5,7-9H2
InChIKeyNQEPZWUNYSARNY-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.11
Rot. Bonds6

About N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide

N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide (PubChem CID 79286595) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide
PubChem CID79286595
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCC#N)C1CC1
InChIInChI=1S/C11H15N3O/c1-2-7-13-9-11(15)14(8-3-6-12)10-4-5-10/h1,10,13H,3-5,7-9H2
InChIKeyNQEPZWUNYSARNY-UHFFFAOYSA-N
XLogP0.11
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide (CID 79286595) is N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide?
The InChIKey is NQEPZWUNYSARNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-7-13-9-11(15)14(8-3-6-12)10-4-5-10/h1,10,13H,3-5,7-9H2.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide?
N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide has a molecular weight of 205.26 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79286595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).