2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide

C11H23NO2S — CID 89262550

IUPAC2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide
SMILESCCCCOC(C)(C)C(=O)NCCCS
InChIInChI=1S/C11H23NO2S/c1-4-5-8-14-11(2,3)10(13)12-7-6-9-15/h15H,4-9H2,1-3H3,(H,12,13)
InChIKeyHIEXVZIUFCQCCH-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.02
Rot. Bonds8

About 2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide

2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide (PubChem CID 89262550) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide.

Molecular Properties

Compound Name2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide
PubChem CID89262550
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide
SMILESCCCCOC(C)(C)C(=O)NCCCS
InChIInChI=1S/C11H23NO2S/c1-4-5-8-14-11(2,3)10(13)12-7-6-9-15/h15H,4-9H2,1-3H3,(H,12,13)
InChIKeyHIEXVZIUFCQCCH-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide?
The IUPAC name of 2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide (CID 89262550) is 2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide.
What is the SMILES notation for 2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide?
The canonical SMILES for 2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide is CCCCOC(C)(C)C(=O)NCCCS.
What is the InChIKey of 2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide?
The InChIKey is HIEXVZIUFCQCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-5-8-14-11(2,3)10(13)12-7-6-9-15/h15H,4-9H2,1-3H3,(H,12,13).
What are the key properties of 2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide?
2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide has a molecular weight of 233.38 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide is sourced from PubChem (CID 89262550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).