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

C24H37NO — CID 6505800

IUPAC(2E,4E,6E,8E)-N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C24H37NO/c1-7-8-17-25-23(26)18-20(3)12-9-11-19(2)14-15-22-21(4)13-10-16-24(22,5)6/h9,11-12,14-15,18H,7-8,10,13,16-17H2,1-6H3,(H,25,26)/b12-9+,15-14+,19-11+,20-18+
InChIKeyIOIMWLSSNSWJLN-YVDNJGTBSA-N
MW355.57 g/mol
LogP6.43
Rot. Bonds8

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

(2E,4E,6E,8E)-N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 6505800) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-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-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
PubChem CID6505800
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name(2E,4E,6E,8E)-N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C24H37NO/c1-7-8-17-25-23(26)18-20(3)12-9-11-19(2)14-15-22-21(4)13-10-16-24(22,5)6/h9,11-12,14-15,18H,7-8,10,13,16-17H2,1-6H3,(H,25,26)/b12-9+,15-14+,19-11+,20-18+
InChIKeyIOIMWLSSNSWJLN-YVDNJGTBSA-N
XLogP6.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-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-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 6505800) is (2E,4E,6E,8E)-N-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-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-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is CCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of (2E,4E,6E,8E)-N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The InChIKey is IOIMWLSSNSWJLN-YVDNJGTBSA-N. The full InChI is InChI=1S/C24H37NO/c1-7-8-17-25-23(26)18-20(3)12-9-11-19(2)14-15-22-21(4)13-10-16-24(22,5)6/h9,11-12,14-15,18H,7-8,10,13,16-17H2,1-6H3,(H,25,26)/b12-9+,15-14+,19-11+,20-18+.
What are the key properties of (2E,4E,6E,8E)-N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
(2E,4E,6E,8E)-N-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, 8 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-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 6505800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).