N-(2-ethoxyphenyl)-2-methylbutanamide

C13H19NO2 — CID 2904389

IUPACN-(2-ethoxyphenyl)-2-methylbutanamide
SMILESCCOc1ccccc1NC(=O)C(C)CC
InChIInChI=1S/C13H19NO2/c1-4-10(3)13(15)14-11-8-6-7-9-12(11)16-5-2/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeyVTCFVEOAWWFARC-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.07
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-methylbutanamide

N-(2-ethoxyphenyl)-2-methylbutanamide (PubChem CID 2904389) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-methylbutanamide
PubChem CID2904389
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-ethoxyphenyl)-2-methylbutanamide
SMILESCCOc1ccccc1NC(=O)C(C)CC
InChIInChI=1S/C13H19NO2/c1-4-10(3)13(15)14-11-8-6-7-9-12(11)16-5-2/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeyVTCFVEOAWWFARC-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-ethoxyphenyl)-2-methylbutanamide 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-(2-ethoxyphenyl)-2-methylbutanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-methylbutanamide (CID 2904389) is N-(2-ethoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-methylbutanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-methylbutanamide is CCOc1ccccc1NC(=O)C(C)CC.
What is the InChIKey of N-(2-ethoxyphenyl)-2-methylbutanamide?
The InChIKey is VTCFVEOAWWFARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-10(3)13(15)14-11-8-6-7-9-12(11)16-5-2/h6-10H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-(2-ethoxyphenyl)-2-methylbutanamide?
N-(2-ethoxyphenyl)-2-methylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 2904389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).