N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

C24H37NO3 — CID 165359164

About N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 165359164) has the molecular formula C24H37NO3 and a molecular weight of 387.56 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

Molecular Properties

• Compound Name: N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
• PubChem CID: 165359164
• Molecular Formula: C24H37NO3
• Molecular Weight: 387.56 g/mol
• Exact Mass: 387.28
• IUPAC Name: N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
• SMILES: CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)NCCOCCO
• InChI: InChI=1S/C24H37NO3/c1-19(11-12-22-21(3)10-7-13-24(22,4)5)8-6-9-20(2)18-23(27)25-14-16-28-17-15-26/h6,8-9,11-12,18,26H,7,10,13-17H2,1-5H3,(H,25,27)
• InChIKey: JGBJGVMZJKNERX-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.56
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 165359164) is N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-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)NCCOCCO.

What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

The InChIKey is JGBJGVMZJKNERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO3/c1-19(11-12-22-21(3)10-7-13-24(22,4)5)8-6-9-20(2)18-23(27)25-14-16-28-17-15-26/h6,8-9,11-12,18,26H,7,10,13-17H2,1-5H3,(H,25,27).

What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 387.56 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-hydroxyethoxy)ethyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 165359164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).