3-hydroxy-N-methoxy-N,2-dimethylpentanamide

C8H17NO3 — CID 85166766

IUPAC3-hydroxy-N-methoxy-N,2-dimethylpentanamide
SMILESCCC(O)C(C)C(=O)N(C)OC
InChIInChI=1S/C8H17NO3/c1-5-7(10)6(2)8(11)9(3)12-4/h6-7,10H,5H2,1-4H3
InChIKeyAMNAGDZXXCUJOS-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.41
Rot. Bonds4

About 3-hydroxy-N-methoxy-N,2-dimethylpentanamide

3-hydroxy-N-methoxy-N,2-dimethylpentanamide (PubChem CID 85166766) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-hydroxy-N-methoxy-N,2-dimethylpentanamide.

Molecular Properties

Compound Name3-hydroxy-N-methoxy-N,2-dimethylpentanamide
PubChem CID85166766
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name3-hydroxy-N-methoxy-N,2-dimethylpentanamide
SMILESCCC(O)C(C)C(=O)N(C)OC
InChIInChI=1S/C8H17NO3/c1-5-7(10)6(2)8(11)9(3)12-4/h6-7,10H,5H2,1-4H3
InChIKeyAMNAGDZXXCUJOS-UHFFFAOYSA-N
XLogP0.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-hydroxy-N-methoxy-N,2-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methoxy-N,2-dimethylpentanamide?
The IUPAC name of 3-hydroxy-N-methoxy-N,2-dimethylpentanamide (CID 85166766) is 3-hydroxy-N-methoxy-N,2-dimethylpentanamide.
What is the SMILES notation for 3-hydroxy-N-methoxy-N,2-dimethylpentanamide?
The canonical SMILES for 3-hydroxy-N-methoxy-N,2-dimethylpentanamide is CCC(O)C(C)C(=O)N(C)OC.
What is the InChIKey of 3-hydroxy-N-methoxy-N,2-dimethylpentanamide?
The InChIKey is AMNAGDZXXCUJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5-7(10)6(2)8(11)9(3)12-4/h6-7,10H,5H2,1-4H3.
What are the key properties of 3-hydroxy-N-methoxy-N,2-dimethylpentanamide?
3-hydroxy-N-methoxy-N,2-dimethylpentanamide has a molecular weight of 175.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methoxy-N,2-dimethylpentanamide is sourced from PubChem (CID 85166766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).