N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide

C11H23NO2S — CID 134502033

IUPACN-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide
SMILESCCOC(C)(C)CCNC(=O)CCSC
InChIInChI=1S/C11H23NO2S/c1-5-14-11(2,3)7-8-12-10(13)6-9-15-4/h5-9H2,1-4H3,(H,12,13)
InChIKeyZXJYEBGVQFATBM-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.06
Rot. Bonds8

About N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide

N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide (PubChem CID 134502033) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide
PubChem CID134502033
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide
SMILESCCOC(C)(C)CCNC(=O)CCSC
InChIInChI=1S/C11H23NO2S/c1-5-14-11(2,3)7-8-12-10(13)6-9-15-4/h5-9H2,1-4H3,(H,12,13)
InChIKeyZXJYEBGVQFATBM-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide 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-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide (CID 134502033) is N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide is CCOC(C)(C)CCNC(=O)CCSC.
What is the InChIKey of N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide?
The InChIKey is ZXJYEBGVQFATBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-14-11(2,3)7-8-12-10(13)6-9-15-4/h5-9H2,1-4H3,(H,12,13).
What are the key properties of N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide?
N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide has a molecular weight of 233.38 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 134502033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).