(2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide

C25H41NO2 — CID 15069705

IUPAC(2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide
SMILESCCNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C25H41NO2/c1-7-26-25(28)23(5)18-10-16-21(3)14-8-12-20(2)13-9-15-22(4)17-11-19-24(6)27/h13-14,17-18H,7-12,15-16,19H2,1-6H3,(H,26,28)/b20-13+,21-14+,22-17+,23-18+
InChIKeyBKMIEMFBICXTJT-SLPFTHLESA-N
MW387.61 g/mol
LogP6.62
Rot. Bonds14

About (2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide

(2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide (PubChem CID 15069705) has the molecular formula C25H41NO2 and a molecular weight of 387.61 g/mol. Its IUPAC name is (2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound Name(2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide
PubChem CID15069705
Molecular FormulaC25H41NO2
Molecular Weight387.61 g/mol
Exact Mass387.31
IUPAC Name(2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide
SMILESCCNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C25H41NO2/c1-7-26-25(28)23(5)18-10-16-21(3)14-8-12-20(2)13-9-15-22(4)17-11-19-24(6)27/h13-14,17-18H,7-12,15-16,19H2,1-6H3,(H,26,28)/b20-13+,21-14+,22-17+,23-18+
InChIKeyBKMIEMFBICXTJT-SLPFTHLESA-N
XLogP6.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide?
The IUPAC name of (2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide (CID 15069705) is (2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for (2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide?
The canonical SMILES for (2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide is CCNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O.
What is the InChIKey of (2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide?
The InChIKey is BKMIEMFBICXTJT-SLPFTHLESA-N. The full InChI is InChI=1S/C25H41NO2/c1-7-26-25(28)23(5)18-10-16-21(3)14-8-12-20(2)13-9-15-22(4)17-11-19-24(6)27/h13-14,17-18H,7-12,15-16,19H2,1-6H3,(H,26,28)/b20-13+,21-14+,22-17+,23-18+.
What are the key properties of (2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide?
(2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide has a molecular weight of 387.61 g/mol, XLogP of 6.62, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 15069705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).