3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

C17H31N3O5S — CID 123603961

IUPAC3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCCNC(=O)CCOCC.CNC(=O)CCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C9H14N2O3S.C8H17NO2/c1-10-7(12)3-4-11-8(13)5-6(15-2)9(11)14;1-3-6-9-8(10)5-7-11-4-2/h6H,3-5H2,1-2H3,(H,10,12);3-7H2,1-2H3,(H,9,10)
InChIKeyUXHIRNPSNHJQFK-UHFFFAOYSA-N
MW389.52 g/mol
LogP0.55
Rot. Bonds10

About 3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 123603961) has the molecular formula C17H31N3O5S and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound Name3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID123603961
Molecular FormulaC17H31N3O5S
Molecular Weight389.52 g/mol
Exact Mass389.20
IUPAC Name3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCCNC(=O)CCOCC.CNC(=O)CCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C9H14N2O3S.C8H17NO2/c1-10-7(12)3-4-11-8(13)5-6(15-2)9(11)14;1-3-6-9-8(10)5-7-11-4-2/h6H,3-5H2,1-2H3,(H,10,12);3-7H2,1-2H3,(H,9,10)
InChIKeyUXHIRNPSNHJQFK-UHFFFAOYSA-N
XLogP0.55
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59257637
3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide
CID 90126300
N-(2-ethylsulfonylethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 118362321
N-[3-(ethylamino)propyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 148839265
[1-[3-[2-[[3-(3-ethoxypropanoylamino)-5-[2-[3-(3-fluorosulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-5-oxopentanoyl]amino]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite;molecular fluorine
CID 90840086
1-(2-ethoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 58841262
N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide
CID 58290198
N-[2-(methylamino)ethyl]-6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide
CID 118491544
N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 130471010
3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide
CID 134387206
ethane;N-[2-(4-methoxyphenyl)ethyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 169161456
3-[2-[6-[2,5-dioxo-3-[3-oxo-3-(pentylamino)propyl]sulfanylpyrrolidin-1-yl]-4-oxohexoxy]ethoxy]-N-pentylpropanamide
CID 158910983

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of 3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 123603961) is 3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for 3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for 3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is CCCNC(=O)CCOCC.CNC(=O)CCN1C(=O)CC(SC)C1=O.
What is the InChIKey of 3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is UXHIRNPSNHJQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S.C8H17NO2/c1-10-7(12)3-4-11-8(13)5-6(15-2)9(11)14;1-3-6-9-8(10)5-7-11-4-2/h6H,3-5H2,1-2H3,(H,10,12);3-7H2,1-2H3,(H,9,10).
What are the key properties of 3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 389.52 g/mol, XLogP of 0.55, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 123603961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).