N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide

C14H22N2O4 — CID 176989879

IUPACN-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide
SMILESCC(CCNC(=O)C(C)(C)CCO)N1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O4/c1-10(16-11(18)4-5-12(16)19)6-8-15-13(20)14(2,3)7-9-17/h4-5,10,17H,6-9H2,1-3H3,(H,15,20)
InChIKeyJAJYRPKWMYQUEH-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.21
Rot. Bonds7

About N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide

N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide (PubChem CID 176989879) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide
PubChem CID176989879
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide
SMILESCC(CCNC(=O)C(C)(C)CCO)N1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O4/c1-10(16-11(18)4-5-12(16)19)6-8-15-13(20)14(2,3)7-9-17/h4-5,10,17H,6-9H2,1-3H3,(H,15,20)
InChIKeyJAJYRPKWMYQUEH-UHFFFAOYSA-N
XLogP0.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide?
The IUPAC name of N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide (CID 176989879) is N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide.
What is the SMILES notation for N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide?
The canonical SMILES for N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide is CC(CCNC(=O)C(C)(C)CCO)N1C(=O)C=CC1=O.
What is the InChIKey of N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide?
The InChIKey is JAJYRPKWMYQUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(16-11(18)4-5-12(16)19)6-8-15-13(20)14(2,3)7-9-17/h4-5,10,17H,6-9H2,1-3H3,(H,15,20).
What are the key properties of N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide?
N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide has a molecular weight of 282.34 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide is sourced from PubChem (CID 176989879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).