N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide

C20H33NO2 — CID 15069742

IUPACN-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CNC(C)=O
InChIInChI=1S/C20H33NO2/c1-16(11-7-13-18(3)15-21-20(5)23)9-6-10-17(2)12-8-14-19(4)22/h9,12-13H,6-8,10-11,14-15H2,1-5H3,(H,21,23)/b16-9+,17-12+,18-13+
InChIKeyAAIWFXRPEZKBRX-KJACOYNYSA-N
MW319.49 g/mol
LogP4.89
Rot. Bonds11

About N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide

N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide (PubChem CID 15069742) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide.

Molecular Properties

Compound NameN-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide
PubChem CID15069742
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC NameN-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CNC(C)=O
InChIInChI=1S/C20H33NO2/c1-16(11-7-13-18(3)15-21-20(5)23)9-6-10-17(2)12-8-14-19(4)22/h9,12-13H,6-8,10-11,14-15H2,1-5H3,(H,21,23)/b16-9+,17-12+,18-13+
InChIKeyAAIWFXRPEZKBRX-KJACOYNYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide?
The IUPAC name of N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide (CID 15069742) is N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide.
What is the SMILES notation for N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide?
The canonical SMILES for N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide is CC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CNC(C)=O.
What is the InChIKey of N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide?
The InChIKey is AAIWFXRPEZKBRX-KJACOYNYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-16(11-7-13-18(3)15-21-20(5)23)9-6-10-17(2)12-8-14-19(4)22/h9,12-13H,6-8,10-11,14-15H2,1-5H3,(H,21,23)/b16-9+,17-12+,18-13+.
What are the key properties of N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide?
N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide 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 N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide is sourced from PubChem (CID 15069742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).