N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

C15H26N2O4S — CID 126513721

IUPACN-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCOC(C)(C)CCNC(=O)CCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C15H26N2O4S/c1-5-21-15(2,3)7-8-16-12(18)6-9-17-13(19)10-11(22-4)14(17)20/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyNESANFCPIZMTNQ-UHFFFAOYSA-N
MW330.45 g/mol
LogP1.19
Rot. Bonds9

About N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 126513721) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID126513721
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC NameN-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCOC(C)(C)CCNC(=O)CCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C15H26N2O4S/c1-5-21-15(2,3)7-8-16-12(18)6-9-17-13(19)10-11(22-4)14(17)20/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyNESANFCPIZMTNQ-UHFFFAOYSA-N
XLogP1.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 126513721) is N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is CCOC(C)(C)CCNC(=O)CCN1C(=O)CC(SC)C1=O.
What is the InChIKey of N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is NESANFCPIZMTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-5-21-15(2,3)7-8-16-12(18)6-9-17-13(19)10-11(22-4)14(17)20/h11H,5-10H2,1-4H3,(H,16,18).
What are the key properties of N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 330.45 g/mol, XLogP of 1.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-3-methylbutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 126513721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).