(E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide

C17H34N2O2 — CID 102118940

IUPAC(E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide
SMILESCC/C=C/CCC(=O)NCNCCCCCCCCCO
InChIInChI=1S/C17H34N2O2/c1-2-3-4-10-13-17(21)19-16-18-14-11-8-6-5-7-9-12-15-20/h3-4,18,20H,2,5-16H2,1H3,(H,19,21)/b4-3+
InChIKeyBXHSCQGSVMPUAY-ONEGZZNKSA-N
MW298.47 g/mol
LogP3.12
Rot. Bonds15

About (E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide

(E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide (PubChem CID 102118940) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide.

Molecular Properties

Compound Name(E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide
PubChem CID102118940
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name(E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide
SMILESCC/C=C/CCC(=O)NCNCCCCCCCCCO
InChIInChI=1S/C17H34N2O2/c1-2-3-4-10-13-17(21)19-16-18-14-11-8-6-5-7-9-12-15-20/h3-4,18,20H,2,5-16H2,1H3,(H,19,21)/b4-3+
InChIKeyBXHSCQGSVMPUAY-ONEGZZNKSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 53
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-[(9-hydroxynonylamino)methyl]oct-4-enamide
CID 102118945
(E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide
CID 101274790
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 53374072
(E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide
CID 101274786
(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide
CID 101274880
N-ethyl-3-(6-hydroxyhexylamino)propanamide
CID 107703596
3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
2-[[[(Z)-octadec-9-enoyl]amino]methylamino]ethanesulfonic acid
CID 175166237
N-[2-(2-aminoethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 139676066
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 123821068
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide?
The IUPAC name of (E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide (CID 102118940) is (E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide.
What is the SMILES notation for (E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide?
The canonical SMILES for (E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide is CC/C=C/CCC(=O)NCNCCCCCCCCCO.
What is the InChIKey of (E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide?
The InChIKey is BXHSCQGSVMPUAY-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-2-3-4-10-13-17(21)19-16-18-14-11-8-6-5-7-9-12-15-20/h3-4,18,20H,2,5-16H2,1H3,(H,19,21)/b4-3+.
What are the key properties of (E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide?
(E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide has a molecular weight of 298.47 g/mol, XLogP of 3.12, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide is sourced from PubChem (CID 102118940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).