N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide

C11H21NO2 — CID 138502884

IUPACN-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide
SMILESCCC(C)(C)/C=C/CNC(=O)COC
InChIInChI=1S/C11H21NO2/c1-5-11(2,3)7-6-8-12-10(13)9-14-4/h6-7H,5,8-9H2,1-4H3,(H,12,13)/b7-6+
InChIKeyICIOSQHLYYACEF-VOTSOKGWSA-N
MW199.29 g/mol
LogP1.74
Rot. Bonds6

About N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide

N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide (PubChem CID 138502884) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide
PubChem CID138502884
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide
SMILESCCC(C)(C)/C=C/CNC(=O)COC
InChIInChI=1S/C11H21NO2/c1-5-11(2,3)7-6-8-12-10(13)9-14-4/h6-7H,5,8-9H2,1-4H3,(H,12,13)/b7-6+
InChIKeyICIOSQHLYYACEF-VOTSOKGWSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide?
The IUPAC name of N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide (CID 138502884) is N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide?
The canonical SMILES for N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide is CCC(C)(C)/C=C/CNC(=O)COC.
What is the InChIKey of N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide?
The InChIKey is ICIOSQHLYYACEF-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-11(2,3)7-6-8-12-10(13)9-14-4/h6-7H,5,8-9H2,1-4H3,(H,12,13)/b7-6+.
What are the key properties of N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide?
N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide has a molecular weight of 199.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide is sourced from PubChem (CID 138502884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).