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

C23H35NO3 — CID 6505795

IUPAC(2E,4E,6E,8E)-N-(2,3-dihydroxypropyl)-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)NCC(O)CO)C(C)(C)CCC1
InChIInChI=1S/C23H35NO3/c1-17(11-12-21-19(3)10-7-13-23(21,4)5)8-6-9-18(2)14-22(27)24-15-20(26)16-25/h6,8-9,11-12,14,20,25-26H,7,10,13,15-16H2,1-5H3,(H,24,27)/b9-6+,12-11+,17-8+,18-14+
InChIKeyFXQZICWUGFILLR-DZBDEXCTSA-N
MW373.54 g/mol
LogP3.99
Rot. Bonds8

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

(2E,4E,6E,8E)-N-(2,3-dihydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 6505795) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-(2,3-dihydroxypropyl)-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-(2,3-dihydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
PubChem CID6505795
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Name(2E,4E,6E,8E)-N-(2,3-dihydroxypropyl)-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)NCC(O)CO)C(C)(C)CCC1
InChIInChI=1S/C23H35NO3/c1-17(11-12-21-19(3)10-7-13-23(21,4)5)8-6-9-18(2)14-22(27)24-15-20(26)16-25/h6,8-9,11-12,14,20,25-26H,7,10,13,15-16H2,1-5H3,(H,24,27)/b9-6+,12-11+,17-8+,18-14+
InChIKeyFXQZICWUGFILLR-DZBDEXCTSA-N
XLogP3.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2,3-dihydroxypropyl)-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-(2,3-dihydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 6505795) is (2E,4E,6E,8E)-N-(2,3-dihydroxypropyl)-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-(2,3-dihydroxypropyl)-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-(2,3-dihydroxypropyl)-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)NCC(O)CO)C(C)(C)CCC1.
What is the InChIKey of (2E,4E,6E,8E)-N-(2,3-dihydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The InChIKey is FXQZICWUGFILLR-DZBDEXCTSA-N. The full InChI is InChI=1S/C23H35NO3/c1-17(11-12-21-19(3)10-7-13-23(21,4)5)8-6-9-18(2)14-22(27)24-15-20(26)16-25/h6,8-9,11-12,14,20,25-26H,7,10,13,15-16H2,1-5H3,(H,24,27)/b9-6+,12-11+,17-8+,18-14+.
What are the key properties of (2E,4E,6E,8E)-N-(2,3-dihydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
(2E,4E,6E,8E)-N-(2,3-dihydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 373.54 g/mol, XLogP of 3.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-N-(2,3-dihydroxypropyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 6505795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).