azepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide

C20H40N2O3 — CID 143232917

IUPACazepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide
SMILESCC.CCC(C)/C=C/CCCC(OC)C(N)=O.O=C1CCCCCN1
InChIInChI=1S/C12H23NO2.C6H11NO.C2H6/c1-4-10(2)8-6-5-7-9-11(15-3)12(13)14;8-6-4-2-1-3-5-7-6;1-2/h6,8,10-11H,4-5,7,9H2,1-3H3,(H2,13,14);1-5H2,(H,7,8);1-2H3/b8-6+;;
InChIKeyIXCVGXGDNITPKD-OVGXCEQFSA-N
MW356.55 g/mol
LogP3.96
Rot. Bonds8

About azepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide

azepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide (PubChem CID 143232917) has the molecular formula C20H40N2O3 and a molecular weight of 356.55 g/mol. Its IUPAC name is azepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide.

Molecular Properties

Compound Nameazepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide
PubChem CID143232917
Molecular FormulaC20H40N2O3
Molecular Weight356.55 g/mol
Exact Mass356.30
IUPAC Nameazepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide
SMILESCC.CCC(C)/C=C/CCCC(OC)C(N)=O.O=C1CCCCCN1
InChIInChI=1S/C12H23NO2.C6H11NO.C2H6/c1-4-10(2)8-6-5-7-9-11(15-3)12(13)14;8-6-4-2-1-3-5-7-6;1-2/h6,8,10-11H,4-5,7,9H2,1-3H3,(H2,13,14);1-5H2,(H,7,8);1-2H3/b8-6+;;
InChIKeyIXCVGXGDNITPKD-OVGXCEQFSA-N
XLogP3.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

azocan-2-one;ethane;fluoroethane;methanol;(E)-2-methoxy-8-methyldec-6-enamide;(3Z)-2,3,4,5-tetrafluorohexa-1,3,5-triene
CID 143232984
1-[(5,6-difluorocyclohepta-1,4,6-trien-1-yl)methyl]azepan-2-one;ethane;methanol;(E)-2-methoxy-8-methyldec-6-enamide
CID 143232959
(E)-2-methoxyundec-6-enamide
CID 143582513
butane;but-1-ene;ethane;(E)-2-methoxy-8-methyldec-6-enamide;methyl acetate;N-[(E)-2-methylbut-2-enyl]-N-propylacetamide
CID 143232897
(E)-2,5-dimethoxy-8-methyldec-6-enamide
CID 143232971
azepan-2-one;propan-2-ol
CID 174895110
azepan-2-one;methoxymethane
CID 86733033
azepan-2-one;ethane
CID 91592472
azepan-2-one;butan-2-one
CID 174586665
bis(azepan-2-one);dihydrochloride
CID 158190902
(E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide
CID 143045684
azepan-2-one;cyclohexane
CID 70248400

Frequently Asked Questions

What is the IUPAC name of azepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide?
The IUPAC name of azepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide (CID 143232917) is azepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide.
What is the SMILES notation for azepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide?
The canonical SMILES for azepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide is CC.CCC(C)/C=C/CCCC(OC)C(N)=O.O=C1CCCCCN1.
What is the InChIKey of azepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide?
The InChIKey is IXCVGXGDNITPKD-OVGXCEQFSA-N. The full InChI is InChI=1S/C12H23NO2.C6H11NO.C2H6/c1-4-10(2)8-6-5-7-9-11(15-3)12(13)14;8-6-4-2-1-3-5-7-6;1-2/h6,8,10-11H,4-5,7,9H2,1-3H3,(H2,13,14);1-5H2,(H,7,8);1-2H3/b8-6+;;.
What are the key properties of azepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide?
azepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide has a molecular weight of 356.55 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-one;ethane;(E)-2-methoxy-8-methyldec-6-enamide is sourced from PubChem (CID 143232917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).