(2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide

C9H19NO3 — CID 71492099

IUPAC(2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide
SMILESCC[C@H](OC)[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C9H19NO3/c1-6-8(12-4)7(2)9(11)10(3)13-5/h7-8H,6H2,1-5H3/t7-,8+/m1/s1
InChIKeyODXBLAHYAYVQAQ-SFYZADRCSA-N
MW189.25 g/mol
LogP1.07
Rot. Bonds5

About (2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide

(2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide (PubChem CID 71492099) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide.

Molecular Properties

Compound Name(2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide
PubChem CID71492099
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide
SMILESCC[C@H](OC)[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C9H19NO3/c1-6-8(12-4)7(2)9(11)10(3)13-5/h7-8H,6H2,1-5H3/t7-,8+/m1/s1
InChIKeyODXBLAHYAYVQAQ-SFYZADRCSA-N
XLogP1.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3S)-N,3-dimethoxy-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 (2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide?
The IUPAC name of (2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide (CID 71492099) is (2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide.
What is the SMILES notation for (2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide?
The canonical SMILES for (2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide is CC[C@H](OC)[C@@H](C)C(=O)N(C)OC.
What is the InChIKey of (2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide?
The InChIKey is ODXBLAHYAYVQAQ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6-8(12-4)7(2)9(11)10(3)13-5/h7-8H,6H2,1-5H3/t7-,8+/m1/s1.
What are the key properties of (2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide?
(2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide has a molecular weight of 189.25 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide is sourced from PubChem (CID 71492099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).