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

C10H19NO2 — CID 138502815

IUPACN-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide
SMILESCOCC(=O)NC/C=C/C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-10(2,3)6-5-7-11-9(12)8-13-4/h5-6H,7-8H2,1-4H3,(H,11,12)/b6-5+
InChIKeyAWQCUXHTSQLCPH-AATRIKPKSA-N
MW185.27 g/mol
LogP1.35
Rot. Bonds4

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

N-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide (PubChem CID 138502815) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide
PubChem CID138502815
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide
SMILESCOCC(=O)NC/C=C/C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-10(2,3)6-5-7-11-9(12)8-13-4/h5-6H,7-8H2,1-4H3,(H,11,12)/b6-5+
InChIKeyAWQCUXHTSQLCPH-AATRIKPKSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.35
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-dimethylpent-2-enyl]-2-methoxyacetamide?
The IUPAC name of N-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide (CID 138502815) is N-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide?
The canonical SMILES for N-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide is COCC(=O)NC/C=C/C(C)(C)C.
What is the InChIKey of N-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide?
The InChIKey is AWQCUXHTSQLCPH-AATRIKPKSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)6-5-7-11-9(12)8-13-4/h5-6H,7-8H2,1-4H3,(H,11,12)/b6-5+.
What are the key properties of N-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide?
N-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide has a molecular weight of 185.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide is sourced from PubChem (CID 138502815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).