3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide

C25H39NO2 — CID 57238786

IUPAC3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide
SMILESCCCCCCCCC(=O)C(C(N)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H39NO2/c1-6-7-8-9-10-11-12-21(27)22(23(26)28)18-13-14-19-20(17-18)25(4,5)16-15-24(19,2)3/h13-14,17,22H,6-12,15-16H2,1-5H3,(H2,26,28)
InChIKeyTVWMKHUGQFOLEO-UHFFFAOYSA-N
MW385.59 g/mol
LogP5.92
Rot. Bonds10

About 3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide

3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide (PubChem CID 57238786) has the molecular formula C25H39NO2 and a molecular weight of 385.59 g/mol. Its IUPAC name is 3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide.

Molecular Properties

Compound Name3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide
PubChem CID57238786
Molecular FormulaC25H39NO2
Molecular Weight385.59 g/mol
Exact Mass385.30
IUPAC Name3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide
SMILESCCCCCCCCC(=O)C(C(N)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H39NO2/c1-6-7-8-9-10-11-12-21(27)22(23(26)28)18-13-14-19-20(17-18)25(4,5)16-15-24(19,2)3/h13-14,17,22H,6-12,15-16H2,1-5H3,(H2,26,28)
InChIKeyTVWMKHUGQFOLEO-UHFFFAOYSA-N
XLogP5.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide?
The IUPAC name of 3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide (CID 57238786) is 3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide.
What is the SMILES notation for 3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide?
The canonical SMILES for 3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide is CCCCCCCCC(=O)C(C(N)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide?
The InChIKey is TVWMKHUGQFOLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO2/c1-6-7-8-9-10-11-12-21(27)22(23(26)28)18-13-14-19-20(17-18)25(4,5)16-15-24(19,2)3/h13-14,17,22H,6-12,15-16H2,1-5H3,(H2,26,28).
What are the key properties of 3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide?
3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide has a molecular weight of 385.59 g/mol, XLogP of 5.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)undecanamide is sourced from PubChem (CID 57238786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).