(E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide

C19H38N2O2 — CID 101274768

IUPAC(E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide
SMILESC/C=C/CCCC(=O)NCN(CC)CCCCCCCCCO
InChIInChI=1S/C19H38N2O2/c1-3-5-6-12-15-19(23)20-18-21(4-2)16-13-10-8-7-9-11-14-17-22/h3,5,22H,4,6-18H2,1-2H3,(H,20,23)/b5-3+
InChIKeyKIWWNDZUDAVHML-HWKANZROSA-N
MW326.53 g/mol
LogP3.85
Rot. Bonds16

About (E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide

(E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide (PubChem CID 101274768) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is (E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide.

Molecular Properties

Compound Name(E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide
PubChem CID101274768
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name(E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide
SMILESC/C=C/CCCC(=O)NCN(CC)CCCCCCCCCO
InChIInChI=1S/C19H38N2O2/c1-3-5-6-12-15-19(23)20-18-21(4-2)16-13-10-8-7-9-11-14-17-22/h3,5,22H,4,6-18H2,1-2H3,(H,20,23)/b5-3+
InChIKeyKIWWNDZUDAVHML-HWKANZROSA-N
XLogP3.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.85
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

(E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide
CID 101274750
N-[[ethyl(9-hydroxynonyl)amino]methyl]pentanamide
CID 102118885
(E)-N-[[9-hydroxynonyl(methyl)amino]methyl]hept-5-enamide
CID 102118977
N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide
CID 101274775
(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide
CID 101274880
(E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide
CID 101274786
(E)-N-[2-[3-hydroxypropyl-[2-[[(E)-non-5-enoyl]amino]ethyl]amino]ethyl]non-5-enamide
CID 101285730
7-[6-[(E)-2-hexyldec-8-enoyl]oxyhexyl-(6-hydroxyhexyl)amino]heptyl 2-hexyldecanoate
CID 174355599
(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide
CID 6437128
(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-7-enoyl]amino]propyl]amino]propan-2-yl]non-7-enamide
CID 101285828
7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
CID 171562657
actinium;(Z)-tridec-11-en-1-ol
CID 159826456

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide?
The IUPAC name of (E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide (CID 101274768) is (E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide.
What is the SMILES notation for (E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide?
The canonical SMILES for (E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide is C/C=C/CCCC(=O)NCN(CC)CCCCCCCCCO.
What is the InChIKey of (E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide?
The InChIKey is KIWWNDZUDAVHML-HWKANZROSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-3-5-6-12-15-19(23)20-18-21(4-2)16-13-10-8-7-9-11-14-17-22/h3,5,22H,4,6-18H2,1-2H3,(H,20,23)/b5-3+.
What are the key properties of (E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide?
(E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide has a molecular weight of 326.53 g/mol, XLogP of 3.85, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[ethyl(9-hydroxynonyl)amino]methyl]hept-5-enamide is sourced from PubChem (CID 101274768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).