(Z)-N-(4-aminobutyl)octadec-9-enamide

C22H44N2O — CID 86745897

IUPAC(Z)-N-(4-aminobutyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCCN
InChIInChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)24-21-18-17-20-23/h9-10H,2-8,11-21,23H2,1H3,(H,24,25)/b10-9-
InChIKeyDFNIEKRQMJEIIT-KTKRTIGZSA-N
MW352.61 g/mol
LogP5.88
Rot. Bonds19

About (Z)-N-(4-aminobutyl)octadec-9-enamide

(Z)-N-(4-aminobutyl)octadec-9-enamide (PubChem CID 86745897) has the molecular formula C22H44N2O and a molecular weight of 352.61 g/mol. Its IUPAC name is (Z)-N-(4-aminobutyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(4-aminobutyl)octadec-9-enamide
PubChem CID86745897
Molecular FormulaC22H44N2O
Molecular Weight352.61 g/mol
Exact Mass352.35
IUPAC Name(Z)-N-(4-aminobutyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCCN
InChIInChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)24-21-18-17-20-23/h9-10H,2-8,11-21,23H2,1H3,(H,24,25)/b10-9-
InChIKeyDFNIEKRQMJEIIT-KTKRTIGZSA-N
XLogP5.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (Z)-N-(4-aminobutyl)octadec-9-enamide?
The IUPAC name of (Z)-N-(4-aminobutyl)octadec-9-enamide (CID 86745897) is (Z)-N-(4-aminobutyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(4-aminobutyl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(4-aminobutyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCCCN.
What is the InChIKey of (Z)-N-(4-aminobutyl)octadec-9-enamide?
The InChIKey is DFNIEKRQMJEIIT-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)24-21-18-17-20-23/h9-10H,2-8,11-21,23H2,1H3,(H,24,25)/b10-9-.
What are the key properties of (Z)-N-(4-aminobutyl)octadec-9-enamide?
(Z)-N-(4-aminobutyl)octadec-9-enamide has a molecular weight of 352.61 g/mol, XLogP of 5.88, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-aminobutyl)octadec-9-enamide is sourced from PubChem (CID 86745897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).