(E)-N-methoxy-N,4-dimethylhept-2-enamide

C10H19NO2 — CID 130453610

IUPAC(E)-N-methoxy-N,4-dimethylhept-2-enamide
SMILESCCCC(C)/C=C/C(=O)N(C)OC
InChIInChI=1S/C10H19NO2/c1-5-6-9(2)7-8-10(12)11(3)13-4/h7-9H,5-6H2,1-4H3/b8-7+
InChIKeyAMOBNUYOJOBADT-BQYQJAHWSA-N
MW185.27 g/mol
LogP2.00
Rot. Bonds5

About (E)-N-methoxy-N,4-dimethylhept-2-enamide

(E)-N-methoxy-N,4-dimethylhept-2-enamide (PubChem CID 130453610) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-N-methoxy-N,4-dimethylhept-2-enamide.

Molecular Properties

Compound Name(E)-N-methoxy-N,4-dimethylhept-2-enamide
PubChem CID130453610
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-N-methoxy-N,4-dimethylhept-2-enamide
SMILESCCCC(C)/C=C/C(=O)N(C)OC
InChIInChI=1S/C10H19NO2/c1-5-6-9(2)7-8-10(12)11(3)13-4/h7-9H,5-6H2,1-4H3/b8-7+
InChIKeyAMOBNUYOJOBADT-BQYQJAHWSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,8E,10E)-N-methoxy-N-methyldodeca-2,8,10-trienamide
CID 11276439
(2E,4E)-N-methoxy-N-methyldeca-2,4-dienamide
CID 176436003
(E)-N-Methoxy-N,4-dimethylpent-2-enamide
CID 10855730
(E)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide
CID 10035716
(E,4S,5S)-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide
CID 10036225
(2E)-N-Methoxy-N-methyl-2-hexenamide
CID 11073681
(E)-N-methoxy-N-methylnon-2-enamide
CID 14418365
(2E,4E)-N-methoxy-N,5,9-trimethyl-2,4,8-decatrienamide
CID 24977748
(E)-N-methoxy-N-methylundec-2-enamide
CID 45112715
(E,4S)-N-methoxy-N-methyl-4-(nitromethyl)hept-2-enamide
CID 102419074
(2E)-N-methoxy-N,5,9-trimethyldeca-2,8-dienamide
CID 134918150
(Z)-N-methoxy-N-methylnon-2-enamide
CID 134920609

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-N,4-dimethylhept-2-enamide?
The IUPAC name of (E)-N-methoxy-N,4-dimethylhept-2-enamide (CID 130453610) is (E)-N-methoxy-N,4-dimethylhept-2-enamide.
What is the SMILES notation for (E)-N-methoxy-N,4-dimethylhept-2-enamide?
The canonical SMILES for (E)-N-methoxy-N,4-dimethylhept-2-enamide is CCCC(C)/C=C/C(=O)N(C)OC.
What is the InChIKey of (E)-N-methoxy-N,4-dimethylhept-2-enamide?
The InChIKey is AMOBNUYOJOBADT-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-9(2)7-8-10(12)11(3)13-4/h7-9H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-N-methoxy-N,4-dimethylhept-2-enamide?
(E)-N-methoxy-N,4-dimethylhept-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-N,4-dimethylhept-2-enamide is sourced from PubChem (CID 130453610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).