6-acetamidohexanamide

C8H16N2O2 — CID 21103226

IUPAC6-acetamidohexanamide
SMILESCC(=O)NCCCCCC(N)=O
InChIInChI=1S/C8H16N2O2/c1-7(11)10-6-4-2-3-5-8(9)12/h2-6H2,1H3,(H2,9,12)(H,10,11)
InChIKeyDKTLRYBPEORJBF-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.17
Rot. Bonds6

About 6-acetamidohexanamide

6-acetamidohexanamide (PubChem CID 21103226) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 6-acetamidohexanamide.

Molecular Properties

Compound Name6-acetamidohexanamide
PubChem CID21103226
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name6-acetamidohexanamide
SMILESCC(=O)NCCCCCC(N)=O
InChIInChI=1S/C8H16N2O2/c1-7(11)10-6-4-2-3-5-8(9)12/h2-6H2,1H3,(H2,9,12)(H,10,11)
InChIKeyDKTLRYBPEORJBF-UHFFFAOYSA-N
XLogP0.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.17
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 6-acetamidohexanamide?
The IUPAC name of 6-acetamidohexanamide (CID 21103226) is 6-acetamidohexanamide.
What is the SMILES notation for 6-acetamidohexanamide?
The canonical SMILES for 6-acetamidohexanamide is CC(=O)NCCCCCC(N)=O.
What is the InChIKey of 6-acetamidohexanamide?
The InChIKey is DKTLRYBPEORJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(11)10-6-4-2-3-5-8(9)12/h2-6H2,1H3,(H2,9,12)(H,10,11).
What are the key properties of 6-acetamidohexanamide?
6-acetamidohexanamide has a molecular weight of 172.23 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamidohexanamide is sourced from PubChem (CID 21103226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).