(E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide

C17H34N2O2 — CID 101274786

IUPAC(E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide
SMILESC/C=C/CCCC(=O)NCCNCCCCCCCCO
InChIInChI=1S/C17H34N2O2/c1-2-3-4-9-12-17(21)19-15-14-18-13-10-7-5-6-8-11-16-20/h2-3,18,20H,4-16H2,1H3,(H,19,21)/b3-2+
InChIKeyXOWILZFZMUQEQX-NSCUHMNNSA-N
MW298.47 g/mol
LogP2.77
Rot. Bonds15

About (E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide

(E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide (PubChem CID 101274786) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide.

Molecular Properties

Compound Name(E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide
PubChem CID101274786
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name(E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide
SMILESC/C=C/CCCC(=O)NCCNCCCCCCCCO
InChIInChI=1S/C17H34N2O2/c1-2-3-4-9-12-17(21)19-15-14-18-13-10-7-5-6-8-11-16-20/h2-3,18,20H,4-16H2,1H3,(H,19,21)/b3-2+
InChIKeyXOWILZFZMUQEQX-NSCUHMNNSA-N
XLogP2.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.77
H-Bond Donors ≤ 53
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-(8-hydroxyoctylamino)ethyl]oct-4-enamide
CID 101274790
N,N'-bis[(E)-dec-8-enyl]hexanediamide
CID 101279972
N,N'-bis[(E)-undec-9-enyl]hexanediamide
CID 101279982
3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
(E)-N-[[9-hydroxynonyl(methyl)amino]methyl]hept-5-enamide
CID 102118977
12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide
CID 158068509
N-ethyl-3-(6-hydroxyhexylamino)propanamide
CID 107703596
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
(E)-N-[(9-hydroxynonylamino)methyl]oct-4-enamide
CID 102118945
(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-[2-(2-hydroxyethylamino)ethyl]undecanamide
CID 102117562

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide?
The IUPAC name of (E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide (CID 101274786) is (E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide.
What is the SMILES notation for (E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide?
The canonical SMILES for (E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide is C/C=C/CCCC(=O)NCCNCCCCCCCCO.
What is the InChIKey of (E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide?
The InChIKey is XOWILZFZMUQEQX-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-2-3-4-9-12-17(21)19-15-14-18-13-10-7-5-6-8-11-16-20/h2-3,18,20H,4-16H2,1H3,(H,19,21)/b3-2+.
What are the key properties of (E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide?
(E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide has a molecular weight of 298.47 g/mol, XLogP of 2.77, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide is sourced from PubChem (CID 101274786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).