N-(5-acetamidopentyl)-4-methylpentanamide

C13H26N2O2 — CID 139591680

IUPACN-(5-acetamidopentyl)-4-methylpentanamide
SMILESCC(=O)NCCCCCNC(=O)CCC(C)C
InChIInChI=1S/C13H26N2O2/c1-11(2)7-8-13(17)15-10-6-4-5-9-14-12(3)16/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyNSFADCCUMXFUMB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.85
Rot. Bonds9

About N-(5-acetamidopentyl)-4-methylpentanamide

N-(5-acetamidopentyl)-4-methylpentanamide (PubChem CID 139591680) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(5-acetamidopentyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(5-acetamidopentyl)-4-methylpentanamide
PubChem CID139591680
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(5-acetamidopentyl)-4-methylpentanamide
SMILESCC(=O)NCCCCCNC(=O)CCC(C)C
InChIInChI=1S/C13H26N2O2/c1-11(2)7-8-13(17)15-10-6-4-5-9-14-12(3)16/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyNSFADCCUMXFUMB-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamidopentyl)-4-methylpentanamide?
The IUPAC name of N-(5-acetamidopentyl)-4-methylpentanamide (CID 139591680) is N-(5-acetamidopentyl)-4-methylpentanamide.
What is the SMILES notation for N-(5-acetamidopentyl)-4-methylpentanamide?
The canonical SMILES for N-(5-acetamidopentyl)-4-methylpentanamide is CC(=O)NCCCCCNC(=O)CCC(C)C.
What is the InChIKey of N-(5-acetamidopentyl)-4-methylpentanamide?
The InChIKey is NSFADCCUMXFUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)7-8-13(17)15-10-6-4-5-9-14-12(3)16/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(5-acetamidopentyl)-4-methylpentanamide?
N-(5-acetamidopentyl)-4-methylpentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamidopentyl)-4-methylpentanamide is sourced from PubChem (CID 139591680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).