acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide

C24H48N2O4 — CID 6437526

IUPACacetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide
SMILESCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCO
InChIInChI=1S/C22H44N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2(3)4/h9-10,23,25H,2-8,11-21H2,1H3,(H,24,26);1H3,(H,3,4)/b10-9-;
InChIKeyJRYIVRMKRNIHLE-KVVVOXFISA-N
MW428.66 g/mol
LogP4.81
Rot. Bonds20

About acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide

acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide (PubChem CID 6437526) has the molecular formula C24H48N2O4 and a molecular weight of 428.66 g/mol. Its IUPAC name is acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide.

Molecular Properties

Compound Nameacetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide
PubChem CID6437526
Molecular FormulaC24H48N2O4
Molecular Weight428.66 g/mol
Exact Mass428.36
IUPAC Nameacetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide
SMILESCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCO
InChIInChI=1S/C22H44N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2(3)4/h9-10,23,25H,2-8,11-21H2,1H3,(H,24,26);1H3,(H,3,4)/b10-9-;
InChIKeyJRYIVRMKRNIHLE-KVVVOXFISA-N
XLogP4.81
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.66
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide?
The IUPAC name of acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide (CID 6437526) is acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide.
What is the SMILES notation for acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide?
The canonical SMILES for acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide is CC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCO.
What is the InChIKey of acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide?
The InChIKey is JRYIVRMKRNIHLE-KVVVOXFISA-N. The full InChI is InChI=1S/C22H44N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2(3)4/h9-10,23,25H,2-8,11-21H2,1H3,(H,24,26);1H3,(H,3,4)/b10-9-;.
What are the key properties of acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide?
acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide has a molecular weight of 428.66 g/mol, XLogP of 4.81, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide is sourced from PubChem (CID 6437526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).