(2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide

C20H33NO2 — CID 15069720

IUPAC(2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide
SMILESCCNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C20H33NO2/c1-6-21-20(23)18(4)14-8-12-16(2)10-7-11-17(3)13-9-15-19(5)22/h10,13-14H,6-9,11-12,15H2,1-5H3,(H,21,23)/b16-10+,17-13+,18-14+
InChIKeyLIHOKIUBKJCVJG-YZEUHWDQSA-N
MW319.49 g/mol
LogP4.89
Rot. Bonds11

About (2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide

(2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide (PubChem CID 15069720) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide.

Molecular Properties

Compound Name(2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide
PubChem CID15069720
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide
SMILESCCNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C20H33NO2/c1-6-21-20(23)18(4)14-8-12-16(2)10-7-11-17(3)13-9-15-19(5)22/h10,13-14H,6-9,11-12,15H2,1-5H3,(H,21,23)/b16-10+,17-13+,18-14+
InChIKeyLIHOKIUBKJCVJG-YZEUHWDQSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.89
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)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 5318940
CID 5318940
CID 60168613
CID 60168613
CID 5275518
CID 5275518
CID 177639150
CID 177639150
CID 71441349
CID 71441349
CID 163105333
CID 163105333
CID 78385194
CID 78385194
CID 135080526
CID 135080526
CID 11521413
CID 11521413
CID 11564919
CID 11564919
CID 13646038
CID 13646038
CID 13646039
CID 13646039

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide?
The IUPAC name of (2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide (CID 15069720) is (2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide.
What is the SMILES notation for (2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide?
The canonical SMILES for (2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide is CCNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O.
What is the InChIKey of (2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide?
The InChIKey is LIHOKIUBKJCVJG-YZEUHWDQSA-N. The full InChI is InChI=1S/C20H33NO2/c1-6-21-20(23)18(4)14-8-12-16(2)10-7-11-17(3)13-9-15-19(5)22/h10,13-14H,6-9,11-12,15H2,1-5H3,(H,21,23)/b16-10+,17-13+,18-14+.
What are the key properties of (2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide?
(2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide has a molecular weight of 319.49 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide is sourced from PubChem (CID 15069720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).