hexanamide;propanamide

C9H20N2O2 — CID 18983110

IUPAChexanamide;propanamide
SMILESCCC(N)=O.CCCCCC(N)=O
InChIInChI=1S/C6H13NO.C3H7NO/c1-2-3-4-5-6(7)8;1-2-3(4)5/h2-5H2,1H3,(H2,7,8);2H2,1H3,(H2,4,5)
InChIKeyMIUOYEKRXRDJMN-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.93
Rot. Bonds5

About hexanamide;propanamide

hexanamide;propanamide (PubChem CID 18983110) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is hexanamide;propanamide.

Molecular Properties

Compound Namehexanamide;propanamide
PubChem CID18983110
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Namehexanamide;propanamide
SMILESCCC(N)=O.CCCCCC(N)=O
InChIInChI=1S/C6H13NO.C3H7NO/c1-2-3-4-5-6(7)8;1-2-3(4)5/h2-5H2,1H3,(H2,7,8);2H2,1H3,(H2,4,5)
InChIKeyMIUOYEKRXRDJMN-UHFFFAOYSA-N
XLogP0.93
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.93
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 hexanamide;propanamide?
The IUPAC name of hexanamide;propanamide (CID 18983110) is hexanamide;propanamide.
What is the SMILES notation for hexanamide;propanamide?
The canonical SMILES for hexanamide;propanamide is CCC(N)=O.CCCCCC(N)=O.
What is the InChIKey of hexanamide;propanamide?
The InChIKey is MIUOYEKRXRDJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H7NO/c1-2-3-4-5-6(7)8;1-2-3(4)5/h2-5H2,1H3,(H2,7,8);2H2,1H3,(H2,4,5).
What are the key properties of hexanamide;propanamide?
hexanamide;propanamide has a molecular weight of 188.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexanamide;propanamide is sourced from PubChem (CID 18983110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).