4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide

C23H31NO — CID 88701800

IUPAC4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide
SMILESCC(C=CC(N)=O)=CC=C(C)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H31NO/c1-16(8-12-21(24)25)7-9-17(2)18-10-11-19-20(15-18)23(5,6)14-13-22(19,3)4/h7-12,15H,13-14H2,1-6H3,(H2,24,25)
InChIKeyKDFHLTDZKYOTOP-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.43
Rot. Bonds4

About 4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide

4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide (PubChem CID 88701800) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide.

Molecular Properties

Compound Name4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide
PubChem CID88701800
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide
SMILESCC(C=CC(N)=O)=CC=C(C)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H31NO/c1-16(8-12-21(24)25)7-9-17(2)18-10-11-19-20(15-18)23(5,6)14-13-22(19,3)4/h7-12,15H,13-14H2,1-6H3,(H2,24,25)
InChIKeyKDFHLTDZKYOTOP-UHFFFAOYSA-N
XLogP5.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide?
The IUPAC name of 4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide (CID 88701800) is 4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide.
What is the SMILES notation for 4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide?
The canonical SMILES for 4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide is CC(C=CC(N)=O)=CC=C(C)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide?
The InChIKey is KDFHLTDZKYOTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-16(8-12-21(24)25)7-9-17(2)18-10-11-19-20(15-18)23(5,6)14-13-22(19,3)4/h7-12,15H,13-14H2,1-6H3,(H2,24,25).
What are the key properties of 4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide?
4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide has a molecular weight of 337.51 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide is sourced from PubChem (CID 88701800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).