N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide

C16H27NO2 — CID 167204285

IUPACN-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide
SMILESC=CC(=C)CC(=O)C(=O)N(CC)CCCCC(C)C
InChIInChI=1S/C16H27NO2/c1-6-14(5)12-15(18)16(19)17(7-2)11-9-8-10-13(3)4/h6,13H,1,5,7-12H2,2-4H3
InChIKeyCAFGGIRHDVPDDX-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.36
Rot. Bonds10

About N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide

N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide (PubChem CID 167204285) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide.

Molecular Properties

Compound NameN-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide
PubChem CID167204285
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide
SMILESC=CC(=C)CC(=O)C(=O)N(CC)CCCCC(C)C
InChIInChI=1S/C16H27NO2/c1-6-14(5)12-15(18)16(19)17(7-2)11-9-8-10-13(3)4/h6,13H,1,5,7-12H2,2-4H3
InChIKeyCAFGGIRHDVPDDX-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide?
The IUPAC name of N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide (CID 167204285) is N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide.
What is the SMILES notation for N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide?
The canonical SMILES for N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide is C=CC(=C)CC(=O)C(=O)N(CC)CCCCC(C)C.
What is the InChIKey of N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide?
The InChIKey is CAFGGIRHDVPDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-14(5)12-15(18)16(19)17(7-2)11-9-8-10-13(3)4/h6,13H,1,5,7-12H2,2-4H3.
What are the key properties of N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide?
N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide has a molecular weight of 265.40 g/mol, XLogP of 3.36, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-methylhexyl)-4-methylidene-2-oxohex-5-enamide is sourced from PubChem (CID 167204285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).