(E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide

C18H36N2O2 — CID 101274750

IUPAC(E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide
SMILESC/C=C/CCCC(=O)NCN(CC)CCCCCCCCO
InChIInChI=1S/C18H36N2O2/c1-3-5-6-11-14-18(22)19-17-20(4-2)15-12-9-7-8-10-13-16-21/h3,5,21H,4,6-17H2,1-2H3,(H,19,22)/b5-3+
InChIKeyIPGUFDRNPRLUDP-HWKANZROSA-N
MW312.50 g/mol
LogP3.46
Rot. Bonds15

About (E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide

(E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide (PubChem CID 101274750) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is (E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide.

Molecular Properties

Compound Name(E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide
PubChem CID101274750
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name(E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide
SMILESC/C=C/CCCC(=O)NCN(CC)CCCCCCCCO
InChIInChI=1S/C18H36N2O2/c1-3-5-6-11-14-18(22)19-17-20(4-2)15-12-9-7-8-10-13-16-21/h3,5,21H,4,6-17H2,1-2H3,(H,19,22)/b5-3+
InChIKeyIPGUFDRNPRLUDP-HWKANZROSA-N
XLogP3.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.46
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(9-hydroxynonyl)amino]methyl]hept-5-enamide
CID 101274768
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-[1-[3-hydroxypropyl-[2-[[(E)-non-7-enoyl]amino]propyl]amino]propan-2-yl]non-7-enamide
CID 101285828
(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide
CID 6437128
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(8-hydroxyoctyl)amino]methyl]hept-5-enamide?
The IUPAC name of (E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide (CID 101274750) is (E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide.
What is the SMILES notation for (E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide?
The canonical SMILES for (E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide is C/C=C/CCCC(=O)NCN(CC)CCCCCCCCO.
What is the InChIKey of (E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide?
The InChIKey is IPGUFDRNPRLUDP-HWKANZROSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-3-5-6-11-14-18(22)19-17-20(4-2)15-12-9-7-8-10-13-16-21/h3,5,21H,4,6-17H2,1-2H3,(H,19,22)/b5-3+.
What are the key properties of (E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide?
(E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide has a molecular weight of 312.50 g/mol, XLogP of 3.46, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[ethyl(8-hydroxyoctyl)amino]methyl]hept-5-enamide is sourced from PubChem (CID 101274750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).