4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide

C15H23N3O5 — CID 167022219

IUPAC4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide
SMILESCC(C)(COCCNC(=O)CCN1C(=O)C=CC1=O)CC(N)=O
InChIInChI=1S/C15H23N3O5/c1-15(2,9-11(16)19)10-23-8-6-17-12(20)5-7-18-13(21)3-4-14(18)22/h3-4H,5-10H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyFTKMWFJOTHSWKD-UHFFFAOYSA-N
MW325.37 g/mol
LogP-0.66
Rot. Bonds10

About 4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide

4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide (PubChem CID 167022219) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide
PubChem CID167022219
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide
SMILESCC(C)(COCCNC(=O)CCN1C(=O)C=CC1=O)CC(N)=O
InChIInChI=1S/C15H23N3O5/c1-15(2,9-11(16)19)10-23-8-6-17-12(20)5-7-18-13(21)3-4-14(18)22/h3-4H,5-10H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyFTKMWFJOTHSWKD-UHFFFAOYSA-N
XLogP-0.66
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)propanamide
CID 23506200
3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide
CID 58785854
N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 59289119
3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide
CID 90394454
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propanoylamino)ethoxy]ethyl]propanamide
CID 118421443
N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 123359777
N-[3-(3-acetamidopropylamino)propyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide
CID 126613925
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide
CID 126614154
N-[3-[3-(2,2-dimethylpropanoylamino)propyl-methylamino]propyl]-4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-3,3-dimethylbutanamide
CID 126614155
N-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 126625124
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propanamide
CID 129196034
N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 131993705

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide?
The IUPAC name of 4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide (CID 167022219) is 4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide.
What is the SMILES notation for 4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide?
The canonical SMILES for 4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide is CC(C)(COCCNC(=O)CCN1C(=O)C=CC1=O)CC(N)=O.
What is the InChIKey of 4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide?
The InChIKey is FTKMWFJOTHSWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-15(2,9-11(16)19)10-23-8-6-17-12(20)5-7-18-13(21)3-4-14(18)22/h3-4H,5-10H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide?
4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide has a molecular weight of 325.37 g/mol, XLogP of -0.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-3,3-dimethylbutanamide is sourced from PubChem (CID 167022219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).