8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide

C24H45NO3 — CID 126713771

IUPAC8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide
SMILESCCCCCCC1C=CC(CCCCCCCC(=O)N(CCO)CCO)CC1
InChIInChI=1S/C24H45NO3/c1-2-3-4-8-11-22-14-16-23(17-15-22)12-9-6-5-7-10-13-24(28)25(18-20-26)19-21-27/h14,16,22-23,26-27H,2-13,15,17-21H2,1H3
InChIKeyKISAKXLZFCWMSM-UHFFFAOYSA-N
MW395.63 g/mol
LogP5.08
Rot. Bonds17

About 8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide

8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide (PubChem CID 126713771) has the molecular formula C24H45NO3 and a molecular weight of 395.63 g/mol. Its IUPAC name is 8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide.

Molecular Properties

Compound Name8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide
PubChem CID126713771
Molecular FormulaC24H45NO3
Molecular Weight395.63 g/mol
Exact Mass395.34
IUPAC Name8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide
SMILESCCCCCCC1C=CC(CCCCCCCC(=O)N(CCO)CCO)CC1
InChIInChI=1S/C24H45NO3/c1-2-3-4-8-11-22-14-16-23(17-15-22)12-9-6-5-7-10-13-24(28)25(18-20-26)19-21-27/h14,16,22-23,26-27H,2-13,15,17-21H2,1H3
InChIKeyKISAKXLZFCWMSM-UHFFFAOYSA-N
XLogP5.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.63
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide?
The IUPAC name of 8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide (CID 126713771) is 8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide.
What is the SMILES notation for 8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide?
The canonical SMILES for 8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide is CCCCCCC1C=CC(CCCCCCCC(=O)N(CCO)CCO)CC1.
What is the InChIKey of 8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide?
The InChIKey is KISAKXLZFCWMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO3/c1-2-3-4-8-11-22-14-16-23(17-15-22)12-9-6-5-7-10-13-24(28)25(18-20-26)19-21-27/h14,16,22-23,26-27H,2-13,15,17-21H2,1H3.
What are the key properties of 8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide?
8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide has a molecular weight of 395.63 g/mol, XLogP of 5.08, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hexylcyclohex-2-en-1-yl)-N,N-bis(2-hydroxyethyl)octanamide is sourced from PubChem (CID 126713771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).