N-(1-ethoxy-2-methylpropyl)propanamide

C9H19NO2 — CID 134949251

IUPACN-(1-ethoxy-2-methylpropyl)propanamide
SMILESCCOC(NC(=O)CC)C(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(11)10-9(7(3)4)12-6-2/h7,9H,5-6H2,1-4H3,(H,10,11)
InChIKeyJDMCWWKGOSNKIV-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.53
Rot. Bonds5

About N-(1-ethoxy-2-methylpropyl)propanamide

N-(1-ethoxy-2-methylpropyl)propanamide (PubChem CID 134949251) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(1-ethoxy-2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-(1-ethoxy-2-methylpropyl)propanamide
PubChem CID134949251
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(1-ethoxy-2-methylpropyl)propanamide
SMILESCCOC(NC(=O)CC)C(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(11)10-9(7(3)4)12-6-2/h7,9H,5-6H2,1-4H3,(H,10,11)
InChIKeyJDMCWWKGOSNKIV-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1-ethoxy-2-methylpropyl)propanamide 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 N-(1-ethoxy-2-methylpropyl)propanamide?
The IUPAC name of N-(1-ethoxy-2-methylpropyl)propanamide (CID 134949251) is N-(1-ethoxy-2-methylpropyl)propanamide.
What is the SMILES notation for N-(1-ethoxy-2-methylpropyl)propanamide?
The canonical SMILES for N-(1-ethoxy-2-methylpropyl)propanamide is CCOC(NC(=O)CC)C(C)C.
What is the InChIKey of N-(1-ethoxy-2-methylpropyl)propanamide?
The InChIKey is JDMCWWKGOSNKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-8(11)10-9(7(3)4)12-6-2/h7,9H,5-6H2,1-4H3,(H,10,11).
What are the key properties of N-(1-ethoxy-2-methylpropyl)propanamide?
N-(1-ethoxy-2-methylpropyl)propanamide has a molecular weight of 173.26 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-2-methylpropyl)propanamide is sourced from PubChem (CID 134949251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).