(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide

C21H42N2O2 — CID 101274880

IUPAC(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide
SMILESCCC/C=C/CCC(=O)NCCN(CC)CCCCCCCCCO
InChIInChI=1S/C21H42N2O2/c1-3-5-6-10-13-16-21(25)22-17-19-23(4-2)18-14-11-8-7-9-12-15-20-24/h6,10,24H,3-5,7-9,11-20H2,1-2H3,(H,22,25)/b10-6+
InChIKeyVXCQRLBUIDNVSV-UXBLZVDNSA-N
MW354.58 g/mol
LogP4.28
Rot. Bonds18

About (E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide

(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide (PubChem CID 101274880) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is (E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide.

Molecular Properties

Compound Name(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide
PubChem CID101274880
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide
SMILESCCC/C=C/CCC(=O)NCCN(CC)CCCCCCCCCO
InChIInChI=1S/C21H42N2O2/c1-3-5-6-10-13-16-21(25)22-17-19-23(4-2)18-14-11-8-7-9-12-15-20-24/h6,10,24H,3-5,7-9,11-20H2,1-2H3,(H,22,25)/b10-6+
InChIKeyVXCQRLBUIDNVSV-UXBLZVDNSA-N
XLogP4.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.28
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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Related Compounds

(E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide
CID 102117853
(E)-N-[2-[3-hydroxypropyl-[2-[[(E)-non-5-enoyl]amino]ethyl]amino]ethyl]non-5-enamide
CID 101285730
(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide
CID 6437128
(E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide
CID 101274790
(E)-N-[(9-hydroxynonylamino)methyl]oct-4-enamide
CID 102118945
(E)-N-[2-(dimethylamino)ethyl]oct-4-enamide
CID 102117814
N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 102116497
N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide
CID 102118885
(E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide
CID 101274768
(E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide
CID 101274750
N-[2-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide?
The IUPAC name of (E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide (CID 101274880) is (E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide.
What is the SMILES notation for (E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide?
The canonical SMILES for (E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide is CCC/C=C/CCC(=O)NCCN(CC)CCCCCCCCCO.
What is the InChIKey of (E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide?
The InChIKey is VXCQRLBUIDNVSV-UXBLZVDNSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-3-5-6-10-13-16-21(25)22-17-19-23(4-2)18-14-11-8-7-9-12-15-20-24/h6,10,24H,3-5,7-9,11-20H2,1-2H3,(H,22,25)/b10-6+.
What are the key properties of (E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide?
(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide has a molecular weight of 354.58 g/mol, XLogP of 4.28, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide is sourced from PubChem (CID 101274880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).