N-(5-acetamidopentyl)-4-methylpent-3-enamide

C13H24N2O2 — CID 139591679

IUPACN-(5-acetamidopentyl)-4-methylpent-3-enamide
SMILESCC(=O)NCCCCCNC(=O)CC=C(C)C
InChIInChI=1S/C13H24N2O2/c1-11(2)7-8-13(17)15-10-6-4-5-9-14-12(3)16/h7H,4-6,8-10H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyDYULICJOTXQZMF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.77
Rot. Bonds8

About N-(5-acetamidopentyl)-4-methylpent-3-enamide

N-(5-acetamidopentyl)-4-methylpent-3-enamide (PubChem CID 139591679) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(5-acetamidopentyl)-4-methylpent-3-enamide.

Molecular Properties

Compound NameN-(5-acetamidopentyl)-4-methylpent-3-enamide
PubChem CID139591679
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(5-acetamidopentyl)-4-methylpent-3-enamide
SMILESCC(=O)NCCCCCNC(=O)CC=C(C)C
InChIInChI=1S/C13H24N2O2/c1-11(2)7-8-13(17)15-10-6-4-5-9-14-12(3)16/h7H,4-6,8-10H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyDYULICJOTXQZMF-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.77
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 N-(5-acetamidopentyl)-4-methylpent-3-enamide?
The IUPAC name of N-(5-acetamidopentyl)-4-methylpent-3-enamide (CID 139591679) is N-(5-acetamidopentyl)-4-methylpent-3-enamide.
What is the SMILES notation for N-(5-acetamidopentyl)-4-methylpent-3-enamide?
The canonical SMILES for N-(5-acetamidopentyl)-4-methylpent-3-enamide is CC(=O)NCCCCCNC(=O)CC=C(C)C.
What is the InChIKey of N-(5-acetamidopentyl)-4-methylpent-3-enamide?
The InChIKey is DYULICJOTXQZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)7-8-13(17)15-10-6-4-5-9-14-12(3)16/h7H,4-6,8-10H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(5-acetamidopentyl)-4-methylpent-3-enamide?
N-(5-acetamidopentyl)-4-methylpent-3-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamidopentyl)-4-methylpent-3-enamide is sourced from PubChem (CID 139591679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).