(Z)-N-(5-acetamidopentyl)hexadec-2-enamide

C23H44N2O2 — CID 172645788

IUPAC(Z)-N-(5-acetamidopentyl)hexadec-2-enamide
SMILESCCCCCCCCCCCCC/C=C\C(=O)NCCCCCNC(C)=O
InChIInChI=1S/C23H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-23(27)25-21-18-15-17-20-24-22(2)26/h16,19H,3-15,17-18,20-21H2,1-2H3,(H,24,26)(H,25,27)/b19-16-
InChIKeyQFVQKZXIXYSBDJ-MNDPQUGUSA-N
MW380.62 g/mol
LogP5.67
Rot. Bonds19

About (Z)-N-(5-acetamidopentyl)hexadec-2-enamide

(Z)-N-(5-acetamidopentyl)hexadec-2-enamide (PubChem CID 172645788) has the molecular formula C23H44N2O2 and a molecular weight of 380.62 g/mol. Its IUPAC name is (Z)-N-(5-acetamidopentyl)hexadec-2-enamide.

Molecular Properties

Compound Name(Z)-N-(5-acetamidopentyl)hexadec-2-enamide
PubChem CID172645788
Molecular FormulaC23H44N2O2
Molecular Weight380.62 g/mol
Exact Mass380.34
IUPAC Name(Z)-N-(5-acetamidopentyl)hexadec-2-enamide
SMILESCCCCCCCCCCCCC/C=C\C(=O)NCCCCCNC(C)=O
InChIInChI=1S/C23H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-23(27)25-21-18-15-17-20-24-22(2)26/h16,19H,3-15,17-18,20-21H2,1-2H3,(H,24,26)(H,25,27)/b19-16-
InChIKeyQFVQKZXIXYSBDJ-MNDPQUGUSA-N
XLogP5.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-acetamidopentyl)hexadec-2-enamide?
The IUPAC name of (Z)-N-(5-acetamidopentyl)hexadec-2-enamide (CID 172645788) is (Z)-N-(5-acetamidopentyl)hexadec-2-enamide.
What is the SMILES notation for (Z)-N-(5-acetamidopentyl)hexadec-2-enamide?
The canonical SMILES for (Z)-N-(5-acetamidopentyl)hexadec-2-enamide is CCCCCCCCCCCCC/C=C\C(=O)NCCCCCNC(C)=O.
What is the InChIKey of (Z)-N-(5-acetamidopentyl)hexadec-2-enamide?
The InChIKey is QFVQKZXIXYSBDJ-MNDPQUGUSA-N. The full InChI is InChI=1S/C23H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-23(27)25-21-18-15-17-20-24-22(2)26/h16,19H,3-15,17-18,20-21H2,1-2H3,(H,24,26)(H,25,27)/b19-16-.
What are the key properties of (Z)-N-(5-acetamidopentyl)hexadec-2-enamide?
(Z)-N-(5-acetamidopentyl)hexadec-2-enamide has a molecular weight of 380.62 g/mol, XLogP of 5.67, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-acetamidopentyl)hexadec-2-enamide is sourced from PubChem (CID 172645788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).