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

C23H33NO — CID 56669812

IUPAC(2E,4E,6E,8E)-N-cyclopropyl-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)NC2CC2)C(C)(C)CCC1
InChIInChI=1S/C23H33NO/c1-17(11-14-21-19(3)10-7-15-23(21,4)5)8-6-9-18(2)16-22(25)24-20-12-13-20/h6,8-9,11,14,16,20H,7,10,12-13,15H2,1-5H3,(H,24,25)/b9-6+,14-11+,17-8+,18-16+
InChIKeyMCMIFAUNRYQKLN-IMLUBWEFSA-N
MW339.52 g/mol
LogP5.80
Rot. Bonds6

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

(2E,4E,6E,8E)-N-cyclopropyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 56669812) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-cyclopropyl-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-cyclopropyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
PubChem CID56669812
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name(2E,4E,6E,8E)-N-cyclopropyl-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)NC2CC2)C(C)(C)CCC1
InChIInChI=1S/C23H33NO/c1-17(11-14-21-19(3)10-7-15-23(21,4)5)8-6-9-18(2)16-22(25)24-20-12-13-20/h6,8-9,11,14,16,20H,7,10,12-13,15H2,1-5H3,(H,24,25)/b9-6+,14-11+,17-8+,18-16+
InChIKeyMCMIFAUNRYQKLN-IMLUBWEFSA-N
XLogP5.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.80
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-cyclopropyl-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-cyclopropyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 56669812) is (2E,4E,6E,8E)-N-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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)NC2CC2)C(C)(C)CCC1.
What is the InChIKey of (2E,4E,6E,8E)-N-cyclopropyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The InChIKey is MCMIFAUNRYQKLN-IMLUBWEFSA-N. The full InChI is InChI=1S/C23H33NO/c1-17(11-14-21-19(3)10-7-15-23(21,4)5)8-6-9-18(2)16-22(25)24-20-12-13-20/h6,8-9,11,14,16,20H,7,10,12-13,15H2,1-5H3,(H,24,25)/b9-6+,14-11+,17-8+,18-16+.
What are the key properties of (2E,4E,6E,8E)-N-cyclopropyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
(2E,4E,6E,8E)-N-cyclopropyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 339.52 g/mol, XLogP of 5.80, 6 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-cyclopropyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 56669812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).