N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide

C14H22N2O2 — CID 43289810

IUPACN-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide
SMILESCC1CC=CCC1COCC(=O)N(C)CCC#N
InChIInChI=1S/C14H22N2O2/c1-12-6-3-4-7-13(12)10-18-11-14(17)16(2)9-5-8-15/h3-4,12-13H,5-7,9-11H2,1-2H3
InChIKeyMUNMVELHEBSCMX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.98
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide

N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide (PubChem CID 43289810) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide
PubChem CID43289810
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide
SMILESCC1CC=CCC1COCC(=O)N(C)CCC#N
InChIInChI=1S/C14H22N2O2/c1-12-6-3-4-7-13(12)10-18-11-14(17)16(2)9-5-8-15/h3-4,12-13H,5-7,9-11H2,1-2H3
InChIKeyMUNMVELHEBSCMX-UHFFFAOYSA-N
XLogP1.98
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide (CID 43289810) is N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide is CC1CC=CCC1COCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide?
The InChIKey is MUNMVELHEBSCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12-6-3-4-7-13(12)10-18-11-14(17)16(2)9-5-8-15/h3-4,12-13H,5-7,9-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.98, 6 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-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide is sourced from PubChem (CID 43289810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).