N-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

C26H35NO — CID 87492769

IUPACN-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)NC1=CCCC=C1
InChIInChI=1S/C26H35NO/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/h7,9,11-12,14-17,19H,6,8,10,13,18H2,1-5H3,(H,27,28)
InChIKeySPFWKWHZEORIPJ-UHFFFAOYSA-N
MW377.57 g/mol
LogP6.87
Rot. Bonds6

About N-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

N-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 87492769) has the molecular formula C26H35NO and a molecular weight of 377.57 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
PubChem CID87492769
Molecular FormulaC26H35NO
Molecular Weight377.57 g/mol
Exact Mass377.27
IUPAC NameN-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)NC1=CCCC=C1
InChIInChI=1S/C26H35NO/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/h7,9,11-12,14-17,19H,6,8,10,13,18H2,1-5H3,(H,27,28)
InChIKeySPFWKWHZEORIPJ-UHFFFAOYSA-N
XLogP6.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 56.87
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'}

Analyze N-cyclohexa-1,5-dien-1-yl-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-Ethylretinamide
CID 5288173
(2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 45270412
Retinamide, N-ethyl-, 13-cis-
CID 6437852
N-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 4361
(2E,4E,6Z,8E)-N-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 5353807
(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
(2E,4E,6E,8E)-N-acetyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 20839427
(2E,4E,6E,8E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 21910784
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-N-(2,4,4-trimethylpentan-2-yl)nona-2,4,6,8-tetraenamide
CID 23374463
N-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 53954781
3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-N-(2,4,4-trimethylpentan-2-yl)nona-2,4,6,8-tetraenamide
CID 54406255
(13E)-13-ethylidene-1,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
CID 58854634

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 87492769) is N-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)NC1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The InChIKey is SPFWKWHZEORIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO/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/h7,9,11-12,14-17,19H,6,8,10,13,18H2,1-5H3,(H,27,28).
What are the key properties of N-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
N-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 377.57 g/mol, XLogP of 6.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 87492769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).