N-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide

C15H26N2O3 — CID 129018578

IUPACN-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(C)(C)CCNC(=O)CCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C15H26N2O3/c1-14(2,3)7-8-16-11(18)6-9-17-12(19)10-15(4,5)13(17)20/h6-10H2,1-5H3,(H,16,18)
InChIKeyVECSSAUWJDRDJB-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.71
Rot. Bonds5

About N-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 129018578) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID129018578
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(C)(C)CCNC(=O)CCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C15H26N2O3/c1-14(2,3)7-8-16-11(18)6-9-17-12(19)10-15(4,5)13(17)20/h6-10H2,1-5H3,(H,16,18)
InChIKeyVECSSAUWJDRDJB-UHFFFAOYSA-N
XLogP1.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 129018578) is N-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide is CC(C)(C)CCNC(=O)CCN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of N-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is VECSSAUWJDRDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2,3)7-8-16-11(18)6-9-17-12(19)10-15(4,5)13(17)20/h6-10H2,1-5H3,(H,16,18).
What are the key properties of N-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 282.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 129018578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).