N,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide

C26H47NO2 — CID 162724261

IUPACN,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide
SMILESCC1=C(CCCCCCCCCCCCCCC(=O)N(C)C)C(C)(C)CCC1=O
InChIInChI=1S/C26H47NO2/c1-22-23(26(2,3)21-20-24(22)28)18-16-14-12-10-8-6-7-9-11-13-15-17-19-25(29)27(4)5/h6-21H2,1-5H3
InChIKeyFIZAUWAQWXQVJM-UHFFFAOYSA-N
MW405.67 g/mol
LogP7.24
Rot. Bonds15

About N,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide

N,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide (PubChem CID 162724261) has the molecular formula C26H47NO2 and a molecular weight of 405.67 g/mol. Its IUPAC name is N,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide.

Molecular Properties

Compound NameN,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide
PubChem CID162724261
Molecular FormulaC26H47NO2
Molecular Weight405.67 g/mol
Exact Mass405.36
IUPAC NameN,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide
SMILESCC1=C(CCCCCCCCCCCCCCC(=O)N(C)C)C(C)(C)CCC1=O
InChIInChI=1S/C26H47NO2/c1-22-23(26(2,3)21-20-24(22)28)18-16-14-12-10-8-6-7-9-11-13-15-17-19-25(29)27(4)5/h6-21H2,1-5H3
InChIKeyFIZAUWAQWXQVJM-UHFFFAOYSA-N
XLogP7.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.67
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide?
The IUPAC name of N,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide (CID 162724261) is N,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide.
What is the SMILES notation for N,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide?
The canonical SMILES for N,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide is CC1=C(CCCCCCCCCCCCCCC(=O)N(C)C)C(C)(C)CCC1=O.
What is the InChIKey of N,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide?
The InChIKey is FIZAUWAQWXQVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47NO2/c1-22-23(26(2,3)21-20-24(22)28)18-16-14-12-10-8-6-7-9-11-13-15-17-19-25(29)27(4)5/h6-21H2,1-5H3.
What are the key properties of N,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide?
N,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide has a molecular weight of 405.67 g/mol, XLogP of 7.24, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-15-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentadecanamide is sourced from PubChem (CID 162724261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).