(2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

C24H37NO — CID 11416958

IUPAC(2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C24H37NO/c1-18(14-15-21-20(3)13-10-16-24(21,7)8)11-9-12-19(2)17-22(26)25-23(4,5)6/h9,11-12,14-15,17H,10,13,16H2,1-8H3,(H,25,26)/b12-9+,15-14+,18-11+,19-17+
InChIKeyJGWSIHHLOMMXNT-JPYACPPYSA-N
MW355.57 g/mol
LogP6.43
Rot. Bonds5

About (2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

(2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 11416958) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

Molecular Properties

Compound Name(2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
PubChem CID11416958
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name(2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C24H37NO/c1-18(14-15-21-20(3)13-10-16-24(21,7)8)11-9-12-19(2)17-22(26)25-23(4,5)6/h9,11-12,14-15,17H,10,13,16H2,1-8H3,(H,25,26)/b12-9+,15-14+,18-11+,19-17+
InChIKeyJGWSIHHLOMMXNT-JPYACPPYSA-N
XLogP6.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 56.43
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 (2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The IUPAC name of (2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 11416958) is (2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.
What is the SMILES notation for (2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The canonical SMILES for (2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NC(C)(C)C)C(C)(C)CCC1.
What is the InChIKey of (2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The InChIKey is JGWSIHHLOMMXNT-JPYACPPYSA-N. The full InChI is InChI=1S/C24H37NO/c1-18(14-15-21-20(3)13-10-16-24(21,7)8)11-9-12-19(2)17-22(26)25-23(4,5)6/h9,11-12,14-15,17H,10,13,16H2,1-8H3,(H,25,26)/b12-9+,15-14+,18-11+,19-17+.
What are the key properties of (2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
(2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 355.57 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 11416958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).