(E)-N,N,5-triethyl-3,6-dioxooct-4-enamide

C14H23NO3 — CID 11230533

IUPAC(E)-N,N,5-triethyl-3,6-dioxooct-4-enamide
SMILESCCC(=O)/C(=C/C(=O)CC(=O)N(CC)CC)CC
InChIInChI=1S/C14H23NO3/c1-5-11(13(17)6-2)9-12(16)10-14(18)15(7-3)8-4/h9H,5-8,10H2,1-4H3/b11-9+
InChIKeyBWCONWUWXMCXBC-PKNBQFBNSA-N
MW253.34 g/mol
LogP2.13
Rot. Bonds8

About (E)-N,N,5-triethyl-3,6-dioxooct-4-enamide

(E)-N,N,5-triethyl-3,6-dioxooct-4-enamide (PubChem CID 11230533) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (E)-N,N,5-triethyl-3,6-dioxooct-4-enamide.

Molecular Properties

Compound Name(E)-N,N,5-triethyl-3,6-dioxooct-4-enamide
PubChem CID11230533
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(E)-N,N,5-triethyl-3,6-dioxooct-4-enamide
SMILESCCC(=O)/C(=C/C(=O)CC(=O)N(CC)CC)CC
InChIInChI=1S/C14H23NO3/c1-5-11(13(17)6-2)9-12(16)10-14(18)15(7-3)8-4/h9H,5-8,10H2,1-4H3/b11-9+
InChIKeyBWCONWUWXMCXBC-PKNBQFBNSA-N
XLogP2.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,6-Octadienamide-3-oxo, N1,N1-diethyl
CID 5366303
N,N-diethyl-5-oxocyclopentene-1-carboxamide
CID 15548449
5-oxo-N,N-di(propan-2-yl)cyclopentene-1-carboxamide
CID 15548451
(E)-N,N,2-triethylhept-2-enamide
CID 102303653
(2E,6E,10E,14E)-N,N-diethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide
CID 13646039
(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxo-N,N-dipropylnonadeca-2,6,10,14-tetraenamide
CID 13646040
(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxo-N,N-di(propan-2-yl)nonadeca-2,6,10,14-tetraenamide
CID 13646041
(2E,6E,10E,14E)-N,N-dibutyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide
CID 13646042
(2E,6E,10E,14E)-2,6,10,14-tetramethyl-N,N-bis(2-methylpropyl)-18-oxononadeca-2,6,10,14-tetraenamide
CID 13646043
(2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione
CID 15069706
(2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide
CID 15069714
(2E,6E,10E)-2,6,10-trimethyl-14-oxo-N,N-dipropylpentadeca-2,6,10-trienamide
CID 15069715

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,5-triethyl-3,6-dioxooct-4-enamide?
The IUPAC name of (E)-N,N,5-triethyl-3,6-dioxooct-4-enamide (CID 11230533) is (E)-N,N,5-triethyl-3,6-dioxooct-4-enamide.
What is the SMILES notation for (E)-N,N,5-triethyl-3,6-dioxooct-4-enamide?
The canonical SMILES for (E)-N,N,5-triethyl-3,6-dioxooct-4-enamide is CCC(=O)/C(=C/C(=O)CC(=O)N(CC)CC)CC.
What is the InChIKey of (E)-N,N,5-triethyl-3,6-dioxooct-4-enamide?
The InChIKey is BWCONWUWXMCXBC-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-11(13(17)6-2)9-12(16)10-14(18)15(7-3)8-4/h9H,5-8,10H2,1-4H3/b11-9+.
What are the key properties of (E)-N,N,5-triethyl-3,6-dioxooct-4-enamide?
(E)-N,N,5-triethyl-3,6-dioxooct-4-enamide has a molecular weight of 253.34 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,5-triethyl-3,6-dioxooct-4-enamide is sourced from PubChem (CID 11230533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).