2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide

C20H31NO4 — CID 91583255

IUPAC2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide
SMILESCCCCCCC(CC(C)(O)C(N)=O)C1=C(C)C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C20H31NO4/c1-6-7-8-9-10-15(11-20(5,25)19(21)24)16-14(4)17(22)12(2)13(3)18(16)23/h15,25H,6-11H2,1-5H3,(H2,21,24)
InChIKeyLCIIHBFNSRDDBG-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.00
Rot. Bonds9

About 2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide

2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide (PubChem CID 91583255) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide
PubChem CID91583255
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide
SMILESCCCCCCC(CC(C)(O)C(N)=O)C1=C(C)C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C20H31NO4/c1-6-7-8-9-10-15(11-20(5,25)19(21)24)16-14(4)17(22)12(2)13(3)18(16)23/h15,25H,6-11H2,1-5H3,(H2,21,24)
InChIKeyLCIIHBFNSRDDBG-UHFFFAOYSA-N
XLogP3.00
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide?
The IUPAC name of 2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide (CID 91583255) is 2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide?
The canonical SMILES for 2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide is CCCCCCC(CC(C)(O)C(N)=O)C1=C(C)C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide?
The InChIKey is LCIIHBFNSRDDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4/c1-6-7-8-9-10-15(11-20(5,25)19(21)24)16-14(4)17(22)12(2)13(3)18(16)23/h15,25H,6-11H2,1-5H3,(H2,21,24).
What are the key properties of 2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide?
2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide has a molecular weight of 349.47 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanamide is sourced from PubChem (CID 91583255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).