N-(6-acetamidohexyl)propanamide

C11H22N2O2 — CID 58534772

IUPACN-(6-acetamidohexyl)propanamide
SMILESCCC(=O)NCCCCCCNC(C)=O
InChIInChI=1S/C11H22N2O2/c1-3-11(15)13-9-7-5-4-6-8-12-10(2)14/h3-9H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyRGIKFXVXOOVHDF-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.21
Rot. Bonds8

About N-(6-acetamidohexyl)propanamide

N-(6-acetamidohexyl)propanamide (PubChem CID 58534772) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(6-acetamidohexyl)propanamide.

Molecular Properties

Compound NameN-(6-acetamidohexyl)propanamide
PubChem CID58534772
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(6-acetamidohexyl)propanamide
SMILESCCC(=O)NCCCCCCNC(C)=O
InChIInChI=1S/C11H22N2O2/c1-3-11(15)13-9-7-5-4-6-8-12-10(2)14/h3-9H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyRGIKFXVXOOVHDF-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.21
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-(6-acetamidohexyl)propanamide?
The IUPAC name of N-(6-acetamidohexyl)propanamide (CID 58534772) is N-(6-acetamidohexyl)propanamide.
What is the SMILES notation for N-(6-acetamidohexyl)propanamide?
The canonical SMILES for N-(6-acetamidohexyl)propanamide is CCC(=O)NCCCCCCNC(C)=O.
What is the InChIKey of N-(6-acetamidohexyl)propanamide?
The InChIKey is RGIKFXVXOOVHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-11(15)13-9-7-5-4-6-8-12-10(2)14/h3-9H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-(6-acetamidohexyl)propanamide?
N-(6-acetamidohexyl)propanamide has a molecular weight of 214.31 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamidohexyl)propanamide is sourced from PubChem (CID 58534772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).