(E)-N-(5-acetamidopentyl)but-2-enamide

C11H20N2O2 — CID 18684522

IUPAC(E)-N-(5-acetamidopentyl)but-2-enamide
SMILESC/C=C/C(=O)NCCCCCNC(C)=O
InChIInChI=1S/C11H20N2O2/c1-3-7-11(15)13-9-6-4-5-8-12-10(2)14/h3,7H,4-6,8-9H2,1-2H3,(H,12,14)(H,13,15)/b7-3+
InChIKeyQHSNAPZUFWLYSQ-XVNBXDOJSA-N
MW212.29 g/mol
LogP0.99
Rot. Bonds7

About (E)-N-(5-acetamidopentyl)but-2-enamide

(E)-N-(5-acetamidopentyl)but-2-enamide (PubChem CID 18684522) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (E)-N-(5-acetamidopentyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-acetamidopentyl)but-2-enamide
PubChem CID18684522
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(E)-N-(5-acetamidopentyl)but-2-enamide
SMILESC/C=C/C(=O)NCCCCCNC(C)=O
InChIInChI=1S/C11H20N2O2/c1-3-7-11(15)13-9-6-4-5-8-12-10(2)14/h3,7H,4-6,8-9H2,1-2H3,(H,12,14)(H,13,15)/b7-3+
InChIKeyQHSNAPZUFWLYSQ-XVNBXDOJSA-N
XLogP0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.99
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 (E)-N-(5-acetamidopentyl)but-2-enamide?
The IUPAC name of (E)-N-(5-acetamidopentyl)but-2-enamide (CID 18684522) is (E)-N-(5-acetamidopentyl)but-2-enamide.
What is the SMILES notation for (E)-N-(5-acetamidopentyl)but-2-enamide?
The canonical SMILES for (E)-N-(5-acetamidopentyl)but-2-enamide is C/C=C/C(=O)NCCCCCNC(C)=O.
What is the InChIKey of (E)-N-(5-acetamidopentyl)but-2-enamide?
The InChIKey is QHSNAPZUFWLYSQ-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-7-11(15)13-9-6-4-5-8-12-10(2)14/h3,7H,4-6,8-9H2,1-2H3,(H,12,14)(H,13,15)/b7-3+.
What are the key properties of (E)-N-(5-acetamidopentyl)but-2-enamide?
(E)-N-(5-acetamidopentyl)but-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-acetamidopentyl)but-2-enamide is sourced from PubChem (CID 18684522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).