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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Related Compounds

N-(2,2-dimethylpropyl)-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanamide
CID 134556180
3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide
CID 143678940
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
1-(5-hydroxyhexan-2-yl)pyrrole-2,5-dione
CID 67068197
1-[2-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(methylamino)ethyl]pyrrole-2,5-dione
CID 176989994
5-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 23174647
N-(3-bromobutyl)-2,2-dimethylbutanamide
CID 114312578
5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide
CID 177144711
3-amino-2-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide
CID 146319849
1-(4-methoxybutan-2-yl)pyrrole-2,5-dione
CID 64606099
1-heptan-2-ylpyrrole-2,5-dione
CID 22388775
3-(2,5-dioxopyrrol-1-yl)-5-hydroxy-2,2-bis(2-hydroxyethyl)pentanoic acid
CID 53482093

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).