2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide

C17H25NO4 — CID 169423489

IUPAC2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide
SMILESCC=C/C(C)=C/C(C)C(=O)CC1CC(CC(N)=O)CC(=O)O1
InChIInChI=1S/C17H25NO4/c1-4-5-11(2)6-12(3)15(19)10-14-7-13(8-16(18)20)9-17(21)22-14/h4-6,12-14H,7-10H2,1-3H3,(H2,18,20)/b5-4?,11-6+
InChIKeyFFZDOSTVPSVWNB-TXTWTNGRSA-N
MW307.39 g/mol
LogP2.30
Rot. Bonds7

About 2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide

2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide (PubChem CID 169423489) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide
PubChem CID169423489
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide
SMILESCC=C/C(C)=C/C(C)C(=O)CC1CC(CC(N)=O)CC(=O)O1
InChIInChI=1S/C17H25NO4/c1-4-5-11(2)6-12(3)15(19)10-14-7-13(8-16(18)20)9-17(21)22-14/h4-6,12-14H,7-10H2,1-3H3,(H2,18,20)/b5-4?,11-6+
InChIKeyFFZDOSTVPSVWNB-TXTWTNGRSA-N
XLogP2.30
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide?
The IUPAC name of 2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide (CID 169423489) is 2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide.
What is the SMILES notation for 2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide?
The canonical SMILES for 2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide is CC=C/C(C)=C/C(C)C(=O)CC1CC(CC(N)=O)CC(=O)O1.
What is the InChIKey of 2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide?
The InChIKey is FFZDOSTVPSVWNB-TXTWTNGRSA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-5-11(2)6-12(3)15(19)10-14-7-13(8-16(18)20)9-17(21)22-14/h4-6,12-14H,7-10H2,1-3H3,(H2,18,20)/b5-4?,11-6+.
What are the key properties of 2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide?
2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide has a molecular weight of 307.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4E)-3,5-dimethyl-2-oxoocta-4,6-dienyl]-6-oxooxan-4-yl]acetamide is sourced from PubChem (CID 169423489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).