N-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide

C15H24N2O5 — CID 144514994

IUPACN-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCOCC(C)(C)C(CNC(=O)CCN1C(=O)C=CC1=O)OC
InChIInChI=1S/C15H24N2O5/c1-15(2,10-21-3)11(22-4)9-16-12(18)7-8-17-13(19)5-6-14(17)20/h5-6,11H,7-10H2,1-4H3,(H,16,18)
InChIKeyWWKHQSAZODJYEJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.11
Rot. Bonds9

About N-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide

N-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 144514994) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID144514994
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC NameN-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCOCC(C)(C)C(CNC(=O)CCN1C(=O)C=CC1=O)OC
InChIInChI=1S/C15H24N2O5/c1-15(2,10-21-3)11(22-4)9-16-12(18)7-8-17-13(19)5-6-14(17)20/h5-6,11H,7-10H2,1-4H3,(H,16,18)
InChIKeyWWKHQSAZODJYEJ-UHFFFAOYSA-N
XLogP0.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.11
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-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 144514994) is N-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is COCC(C)(C)C(CNC(=O)CCN1C(=O)C=CC1=O)OC.
What is the InChIKey of N-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is WWKHQSAZODJYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-15(2,10-21-3)11(22-4)9-16-12(18)7-8-17-13(19)5-6-14(17)20/h5-6,11H,7-10H2,1-4H3,(H,16,18).
What are the key properties of N-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 312.37 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxy-3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 144514994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).