N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide

C17H36N2O2 — CID 102118885

IUPACN-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide
SMILESCCCCC(=O)NCN(CC)CCCCCCCCCO
InChIInChI=1S/C17H36N2O2/c1-3-5-13-17(21)18-16-19(4-2)14-11-9-7-6-8-10-12-15-20/h20H,3-16H2,1-2H3,(H,18,21)
InChIKeyYNOCYROPSONHEB-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.30
Rot. Bonds15

About N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide

N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide (PubChem CID 102118885) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide.

Molecular Properties

Compound NameN-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide
PubChem CID102118885
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC NameN-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide
SMILESCCCCC(=O)NCN(CC)CCCCCCCCCO
InChIInChI=1S/C17H36N2O2/c1-3-5-13-17(21)18-16-19(4-2)14-11-9-7-6-8-10-12-15-20/h20H,3-16H2,1-2H3,(H,18,21)
InChIKeyYNOCYROPSONHEB-UHFFFAOYSA-N
XLogP3.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.30
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'}

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Related Compounds

(E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide
CID 101274750
(E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide
CID 101274768
N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide
CID 101274775
N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 102116497
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959
3-[4-hydroxybutyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105445
(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide
CID 101274880
N-butyl-6-hydroxyhexanamide;ethane
CID 145076581
3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide
CID 58040540
tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid
CID 173139559
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141

Frequently Asked Questions

What is the IUPAC name of N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide?
The IUPAC name of N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide (CID 102118885) is N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide.
What is the SMILES notation for N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide?
The canonical SMILES for N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide is CCCCC(=O)NCN(CC)CCCCCCCCCO.
What is the InChIKey of N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide?
The InChIKey is YNOCYROPSONHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-3-5-13-17(21)18-16-19(4-2)14-11-9-7-6-8-10-12-15-20/h20H,3-16H2,1-2H3,(H,18,21).
What are the key properties of N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide?
N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide has a molecular weight of 300.49 g/mol, XLogP of 3.30, 15 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]pentanamide is sourced from PubChem (CID 102118885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).