(E)-N-(2-methoxyethyl)-3-methylhex-4-enamide

C10H19NO2 — CID 87443593

IUPAC(E)-N-(2-methoxyethyl)-3-methylhex-4-enamide
SMILESC/C=C/C(C)CC(=O)NCCOC
InChIInChI=1S/C10H19NO2/c1-4-5-9(2)8-10(12)11-6-7-13-3/h4-5,9H,6-8H2,1-3H3,(H,11,12)/b5-4+
InChIKeyUJNSTIUKXJOUKL-SNAWJCMRSA-N
MW185.27 g/mol
LogP1.35
Rot. Bonds6

About (E)-N-(2-methoxyethyl)-3-methylhex-4-enamide

(E)-N-(2-methoxyethyl)-3-methylhex-4-enamide (PubChem CID 87443593) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-3-methylhex-4-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-3-methylhex-4-enamide
PubChem CID87443593
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-N-(2-methoxyethyl)-3-methylhex-4-enamide
SMILESC/C=C/C(C)CC(=O)NCCOC
InChIInChI=1S/C10H19NO2/c1-4-5-9(2)8-10(12)11-6-7-13-3/h4-5,9H,6-8H2,1-3H3,(H,11,12)/b5-4+
InChIKeyUJNSTIUKXJOUKL-SNAWJCMRSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': '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 (E)-N-(2-methoxyethyl)-3-methylhex-4-enamide?
The IUPAC name of (E)-N-(2-methoxyethyl)-3-methylhex-4-enamide (CID 87443593) is (E)-N-(2-methoxyethyl)-3-methylhex-4-enamide.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-3-methylhex-4-enamide?
The canonical SMILES for (E)-N-(2-methoxyethyl)-3-methylhex-4-enamide is C/C=C/C(C)CC(=O)NCCOC.
What is the InChIKey of (E)-N-(2-methoxyethyl)-3-methylhex-4-enamide?
The InChIKey is UJNSTIUKXJOUKL-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-9(2)8-10(12)11-6-7-13-3/h4-5,9H,6-8H2,1-3H3,(H,11,12)/b5-4+.
What are the key properties of (E)-N-(2-methoxyethyl)-3-methylhex-4-enamide?
(E)-N-(2-methoxyethyl)-3-methylhex-4-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-3-methylhex-4-enamide is sourced from PubChem (CID 87443593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).