N-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide

C16H26N2O3 — CID 134556180

IUPACN-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide
SMILESCC(CC(C)(C)C(=O)NCC(C)(C)C)N1C(=O)C=CC1=O
InChIInChI=1S/C16H26N2O3/c1-11(18-12(19)7-8-13(18)20)9-16(5,6)14(21)17-10-15(2,3)4/h7-8,11H,9-10H2,1-6H3,(H,17,21)
InChIKeyQUEAAUFJZJIDKP-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.88
Rot. Bonds5

About N-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide

N-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide (PubChem CID 134556180) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide
PubChem CID134556180
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide
SMILESCC(CC(C)(C)C(=O)NCC(C)(C)C)N1C(=O)C=CC1=O
InChIInChI=1S/C16H26N2O3/c1-11(18-12(19)7-8-13(18)20)9-16(5,6)14(21)17-10-15(2,3)4/h7-8,11H,9-10H2,1-6H3,(H,17,21)
InChIKeyQUEAAUFJZJIDKP-UHFFFAOYSA-N
XLogP1.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.88
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-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide (CID 134556180) is N-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide is CC(CC(C)(C)C(=O)NCC(C)(C)C)N1C(=O)C=CC1=O.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide?
The InChIKey is QUEAAUFJZJIDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(18-12(19)7-8-13(18)20)9-16(5,6)14(21)17-10-15(2,3)4/h7-8,11H,9-10H2,1-6H3,(H,17,21).
What are the key properties of N-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide?
N-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide has a molecular weight of 294.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide is sourced from PubChem (CID 134556180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).