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

C24H37NO2 — CID 126707961

IUPAC(2E,4E,6E,8E)-N-(2-ethoxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCCOCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C24H37NO2/c1-7-27-17-16-25-23(26)18-20(3)11-8-10-19(2)13-14-22-21(4)12-9-15-24(22,5)6/h8,10-11,13-14,18H,7,9,12,15-17H2,1-6H3,(H,25,26)/b11-8+,14-13+,19-10+,20-18+
InChIKeyFQYPCNPPLVUPAQ-QRQQOWFBSA-N
MW371.57 g/mol
LogP5.67
Rot. Bonds9

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

(2E,4E,6E,8E)-N-(2-ethoxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 126707961) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-(2-ethoxyethyl)-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-(2-ethoxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
PubChem CID126707961
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name(2E,4E,6E,8E)-N-(2-ethoxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCCOCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C24H37NO2/c1-7-27-17-16-25-23(26)18-20(3)11-8-10-19(2)13-14-22-21(4)12-9-15-24(22,5)6/h8,10-11,13-14,18H,7,9,12,15-17H2,1-6H3,(H,25,26)/b11-8+,14-13+,19-10+,20-18+
InChIKeyFQYPCNPPLVUPAQ-QRQQOWFBSA-N
XLogP5.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze (2E,4E,6E,8E)-N-(2-ethoxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)retinamide
CID 6437840
N-Ethylretinamide
CID 5288173
(2E,4E,6E,8E)-3,7-dimethyl-1-morpholin-4-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one
CID 11646381
ethyl 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]acetate
CID 13942195
(2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 56676629
(2E,4E,6E,8E)-3,7-dimethyl-1-(1,4-oxazepan-4-yl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one
CID 56683294
Retinamide, N-ethyl-, 13-cis-
CID 6437852
13-cis-N-(2-Hydroxyethyl)retinamide
CID 44301694
(2E,4E)-N-ethyl-3,7,11,11-tetramethyldodeca-2,4-dienamide
CID 44284058
N-Acetylretinylamine
CID 20839428
N-(3-Hydroxypropyl)retinamide
CID 6505794
N-(2-Hydroxypropyl)retinamide
CID 6505798

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-N-(2-ethoxyethyl)-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-(2-ethoxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 126707961) is (2E,4E,6E,8E)-N-(2-ethoxyethyl)-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-(2-ethoxyethyl)-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-(2-ethoxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is CCOCCNC(=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-(2-ethoxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The InChIKey is FQYPCNPPLVUPAQ-QRQQOWFBSA-N. The full InChI is InChI=1S/C24H37NO2/c1-7-27-17-16-25-23(26)18-20(3)11-8-10-19(2)13-14-22-21(4)12-9-15-24(22,5)6/h8,10-11,13-14,18H,7,9,12,15-17H2,1-6H3,(H,25,26)/b11-8+,14-13+,19-10+,20-18+.
What are the key properties of (2E,4E,6E,8E)-N-(2-ethoxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
(2E,4E,6E,8E)-N-(2-ethoxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 371.57 g/mol, XLogP of 5.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-N-(2-ethoxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 126707961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).