(E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide

C20H40N2O2 — CID 101274843

IUPAC(E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide
SMILESCCCC/C=C/CC(=O)NCCN(C)CCCCCCCCCO
InChIInChI=1S/C20H40N2O2/c1-3-4-5-9-12-15-20(24)21-16-18-22(2)17-13-10-7-6-8-11-14-19-23/h9,12,23H,3-8,10-11,13-19H2,1-2H3,(H,21,24)/b12-9+
InChIKeyYJUJFHALRVQOAP-FMIVXFBMSA-N
MW340.55 g/mol
LogP3.89
Rot. Bonds17

About (E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide

(E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide (PubChem CID 101274843) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is (E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide.

Molecular Properties

Compound Name(E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide
PubChem CID101274843
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC Name(E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide
SMILESCCCC/C=C/CC(=O)NCCN(C)CCCCCCCCCO
InChIInChI=1S/C20H40N2O2/c1-3-4-5-9-12-15-20(24)21-16-18-22(2)17-13-10-7-6-8-11-14-19-23/h9,12,23H,3-8,10-11,13-19H2,1-2H3,(H,21,24)/b12-9+
InChIKeyYJUJFHALRVQOAP-FMIVXFBMSA-N
XLogP3.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 53.89
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-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide
CID 101285699
(Z)-N-[4-[methyl-[7-[methyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]amino]heptyl]amino]butyl]octadec-9-enamide;dihydrobromide
CID 172726509
(E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide
CID 101285722
N-[3-[3-acetamidopropyl(methyl)amino]propyl]octadec-9-enamide
CID 154225120
3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide
CID 108795355
(E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide
CID 101285811
(Z)-N-[4-[methyl-[5-[methyl-[3-[[(E)-octadec-9-enoyl]amino]propyl]amino]pent-2-enyl]amino]butyl]octadec-9-enamide;dihydrobromide
CID 175897161
(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
CID 102117820
N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide
CID 102462917
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide
CID 101274880
(E)-N-[(dimethylamino)methyl]non-3-enamide
CID 102117783

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide?
The IUPAC name of (E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide (CID 101274843) is (E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide.
What is the SMILES notation for (E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide?
The canonical SMILES for (E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide is CCCC/C=C/CC(=O)NCCN(C)CCCCCCCCCO.
What is the InChIKey of (E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide?
The InChIKey is YJUJFHALRVQOAP-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-3-4-5-9-12-15-20(24)21-16-18-22(2)17-13-10-7-6-8-11-14-19-23/h9,12,23H,3-8,10-11,13-19H2,1-2H3,(H,21,24)/b12-9+.
What are the key properties of (E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide?
(E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide has a molecular weight of 340.55 g/mol, XLogP of 3.89, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide is sourced from PubChem (CID 101274843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).