N-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide

C11H18N2O2 — CID 114470219

IUPACN-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide
SMILESC=C(C)CCOCC(=O)N(C)CCC#N
InChIInChI=1S/C11H18N2O2/c1-10(2)5-8-15-9-11(14)13(3)7-4-6-12/h1,4-5,7-9H2,2-3H3
InChIKeyWVHYTEAZSKYTNO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.34
Rot. Bonds7

About N-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide

N-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide (PubChem CID 114470219) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide
PubChem CID114470219
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide
SMILESC=C(C)CCOCC(=O)N(C)CCC#N
InChIInChI=1S/C11H18N2O2/c1-10(2)5-8-15-9-11(14)13(3)7-4-6-12/h1,4-5,7-9H2,2-3H3
InChIKeyWVHYTEAZSKYTNO-UHFFFAOYSA-N
XLogP1.34
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
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-methyl-2-(3-methylbut-3-enoxy)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide (CID 114470219) is N-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide is C=C(C)CCOCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide?
The InChIKey is WVHYTEAZSKYTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-10(2)5-8-15-9-11(14)13(3)7-4-6-12/h1,4-5,7-9H2,2-3H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide has a molecular weight of 210.28 g/mol, XLogP of 1.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(3-methylbut-3-enoxy)acetamide is sourced from PubChem (CID 114470219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).