4-heptoxy-2-methylpentanamide

C13H27NO2 — CID 175017748

IUPAC4-heptoxy-2-methylpentanamide
SMILESCCCCCCCOC(C)CC(C)C(N)=O
InChIInChI=1S/C13H27NO2/c1-4-5-6-7-8-9-16-12(3)10-11(2)13(14)15/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyOYGLDWSIJCMEHV-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.87
Rot. Bonds10

About 4-heptoxy-2-methylpentanamide

4-heptoxy-2-methylpentanamide (PubChem CID 175017748) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-heptoxy-2-methylpentanamide.

Molecular Properties

Compound Name4-heptoxy-2-methylpentanamide
PubChem CID175017748
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-heptoxy-2-methylpentanamide
SMILESCCCCCCCOC(C)CC(C)C(N)=O
InChIInChI=1S/C13H27NO2/c1-4-5-6-7-8-9-16-12(3)10-11(2)13(14)15/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyOYGLDWSIJCMEHV-UHFFFAOYSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
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 4-heptoxy-2-methylpentanamide?
The IUPAC name of 4-heptoxy-2-methylpentanamide (CID 175017748) is 4-heptoxy-2-methylpentanamide.
What is the SMILES notation for 4-heptoxy-2-methylpentanamide?
The canonical SMILES for 4-heptoxy-2-methylpentanamide is CCCCCCCOC(C)CC(C)C(N)=O.
What is the InChIKey of 4-heptoxy-2-methylpentanamide?
The InChIKey is OYGLDWSIJCMEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-5-6-7-8-9-16-12(3)10-11(2)13(14)15/h11-12H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of 4-heptoxy-2-methylpentanamide?
4-heptoxy-2-methylpentanamide has a molecular weight of 229.36 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-2-methylpentanamide is sourced from PubChem (CID 175017748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).