(2S)-2-(3-ethoxypropylamino)-4-methylpentanamide

C11H24N2O2 — CID 87873810

IUPAC(2S)-2-(3-ethoxypropylamino)-4-methylpentanamide
SMILESCCOCCCN[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C11H24N2O2/c1-4-15-7-5-6-13-10(11(12)14)8-9(2)3/h9-10,13H,4-8H2,1-3H3,(H2,12,14)/t10-/m0/s1
InChIKeyLBPQZFIXZHTSRX-JTQLQIEISA-N
MW216.32 g/mol
LogP0.90
Rot. Bonds9

About (2S)-2-(3-ethoxypropylamino)-4-methylpentanamide

(2S)-2-(3-ethoxypropylamino)-4-methylpentanamide (PubChem CID 87873810) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-2-(3-ethoxypropylamino)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-(3-ethoxypropylamino)-4-methylpentanamide
PubChem CID87873810
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S)-2-(3-ethoxypropylamino)-4-methylpentanamide
SMILESCCOCCCN[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C11H24N2O2/c1-4-15-7-5-6-13-10(11(12)14)8-9(2)3/h9-10,13H,4-8H2,1-3H3,(H2,12,14)/t10-/m0/s1
InChIKeyLBPQZFIXZHTSRX-JTQLQIEISA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-(3-ethoxypropylamino)-4-methylpentanamide 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 (2S)-2-(3-ethoxypropylamino)-4-methylpentanamide?
The IUPAC name of (2S)-2-(3-ethoxypropylamino)-4-methylpentanamide (CID 87873810) is (2S)-2-(3-ethoxypropylamino)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-(3-ethoxypropylamino)-4-methylpentanamide?
The canonical SMILES for (2S)-2-(3-ethoxypropylamino)-4-methylpentanamide is CCOCCCN[C@@H](CC(C)C)C(N)=O.
What is the InChIKey of (2S)-2-(3-ethoxypropylamino)-4-methylpentanamide?
The InChIKey is LBPQZFIXZHTSRX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-15-7-5-6-13-10(11(12)14)8-9(2)3/h9-10,13H,4-8H2,1-3H3,(H2,12,14)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-ethoxypropylamino)-4-methylpentanamide?
(2S)-2-(3-ethoxypropylamino)-4-methylpentanamide has a molecular weight of 216.32 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-ethoxypropylamino)-4-methylpentanamide is sourced from PubChem (CID 87873810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).