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

C26H39NO — CID 56673301

IUPAC(2E,4E,6E,8E)-N-cyclohexyl-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)NC2CCCCC2)C(C)(C)CCC1
InChIInChI=1S/C26H39NO/c1-20(16-17-24-22(3)13-10-18-26(24,4)5)11-9-12-21(2)19-25(28)27-23-14-7-6-8-15-23/h9,11-12,16-17,19,23H,6-8,10,13-15,18H2,1-5H3,(H,27,28)/b12-9+,17-16+,20-11+,21-19+
InChIKeyZXMPYJWPIUSLEO-GFDJYDRDSA-N
MW381.60 g/mol
LogP6.97
Rot. Bonds6

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

(2E,4E,6E,8E)-N-cyclohexyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 56673301) has the molecular formula C26H39NO and a molecular weight of 381.60 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-cyclohexyl-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-cyclohexyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
PubChem CID56673301
Molecular FormulaC26H39NO
Molecular Weight381.60 g/mol
Exact Mass381.30
IUPAC Name(2E,4E,6E,8E)-N-cyclohexyl-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)NC2CCCCC2)C(C)(C)CCC1
InChIInChI=1S/C26H39NO/c1-20(16-17-24-22(3)13-10-18-26(24,4)5)11-9-12-21(2)19-25(28)27-23-14-7-6-8-15-23/h9,11-12,16-17,19,23H,6-8,10,13-15,18H2,1-5H3,(H,27,28)/b12-9+,17-16+,20-11+,21-19+
InChIKeyZXMPYJWPIUSLEO-GFDJYDRDSA-N
XLogP6.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 56.97
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-cyclohexyl-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-cyclohexyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 56673301) is (2E,4E,6E,8E)-N-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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)NC2CCCCC2)C(C)(C)CCC1.
What is the InChIKey of (2E,4E,6E,8E)-N-cyclohexyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The InChIKey is ZXMPYJWPIUSLEO-GFDJYDRDSA-N. The full InChI is InChI=1S/C26H39NO/c1-20(16-17-24-22(3)13-10-18-26(24,4)5)11-9-12-21(2)19-25(28)27-23-14-7-6-8-15-23/h9,11-12,16-17,19,23H,6-8,10,13-15,18H2,1-5H3,(H,27,28)/b12-9+,17-16+,20-11+,21-19+.
What are the key properties of (2E,4E,6E,8E)-N-cyclohexyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
(2E,4E,6E,8E)-N-cyclohexyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 381.60 g/mol, XLogP of 6.97, 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-cyclohexyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 56673301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).