N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide

C20H40N2O2 — CID 101274775

IUPACN-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide
SMILESC=CCCCCCC(=O)NCN(CC)CCCCCCCCCO
InChIInChI=1S/C20H40N2O2/c1-3-5-6-10-13-16-20(24)21-19-22(4-2)17-14-11-8-7-9-12-15-18-23/h3,23H,1,4-19H2,2H3,(H,21,24)
InChIKeyQNGXFBPEHPZSEH-UHFFFAOYSA-N
MW340.55 g/mol
LogP4.24
Rot. Bonds18

About N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide

N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide (PubChem CID 101274775) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide.

Molecular Properties

Compound NameN-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide
PubChem CID101274775
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC NameN-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide
SMILESC=CCCCCCC(=O)NCN(CC)CCCCCCCCCO
InChIInChI=1S/C20H40N2O2/c1-3-5-6-10-13-16-20(24)21-19-22(4-2)17-14-11-8-7-9-12-15-18-23/h3,23H,1,4-19H2,2H3,(H,21,24)
InChIKeyQNGXFBPEHPZSEH-UHFFFAOYSA-N
XLogP4.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide
CID 102118885
(E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide
CID 101274750
(E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide
CID 101274768
(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide
CID 101274880
6-[ethyl(prop-2-enyl)amino]hexan-1-ol
CID 19031037
7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
CID 171562657
N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 102116497
hexane-1,6-diol;undec-10-enoic acid
CID 87494369
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959
4-hydroxy-N-prop-2-enylbutanamide
CID 55286226
(Z)-N-prop-2-enyloctadec-9-enamide
CID 10805746
N-prop-2-enyloctanamide
CID 4071942

Frequently Asked Questions

What is the IUPAC name of N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide?
The IUPAC name of N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide (CID 101274775) is N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide.
What is the SMILES notation for N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide?
The canonical SMILES for N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide is C=CCCCCCC(=O)NCN(CC)CCCCCCCCCO.
What is the InChIKey of N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide?
The InChIKey is QNGXFBPEHPZSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-3-5-6-10-13-16-20(24)21-19-22(4-2)17-14-11-8-7-9-12-15-18-23/h3,23H,1,4-19H2,2H3,(H,21,24).
What are the key properties of N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide?
N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide has a molecular weight of 340.55 g/mol, XLogP of 4.24, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide is sourced from PubChem (CID 101274775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).