3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione

C18H30N4O4 — CID 167448063

IUPAC3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCCCOCCOCCn1cc(CN2C(=O)CC(C(C)CC)C2=O)nn1
InChIInChI=1S/C18H30N4O4/c1-4-7-25-9-10-26-8-6-21-12-15(19-20-21)13-22-17(23)11-16(18(22)24)14(3)5-2/h12,14,16H,4-11,13H2,1-3H3
InChIKeyITHFXLBACRJFAZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.64
Rot. Bonds12

About 3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione

3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 167448063) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione
PubChem CID167448063
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCCCOCCOCCn1cc(CN2C(=O)CC(C(C)CC)C2=O)nn1
InChIInChI=1S/C18H30N4O4/c1-4-7-25-9-10-26-8-6-21-12-15(19-20-21)13-22-17(23)11-16(18(22)24)14(3)5-2/h12,14,16H,4-11,13H2,1-3H3
InChIKeyITHFXLBACRJFAZ-UHFFFAOYSA-N
XLogP1.64
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

2-amino-3-[2,5-dioxo-1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidin-3-yl]sulfanylpropanoic acid
CID 138630639
3-tert-butyl-1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione;3-tert-butyl-1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione;3-tert-butyl-1-[[1-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione;3-tert-butyl-1-[[1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione;3-tert-butyl-1-[[1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione;1-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 157221682
4-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 158632737
4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
CID 118041077
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
1-[[1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrole-2,5-dione
CID 138630631
1-[[1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 145076720
1-(3,3-dimethylbutyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]urea
CID 145076653
4-methyl-1-[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]pentan-3-one
CID 167447960
4-(2,2-dimethylpropyl)-1-[2-(2-propoxyethoxy)ethyl]triazole
CID 158140724
2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide
CID 157240697
(3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide
CID 134402047

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione (CID 167448063) is 3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione is CCCOCCOCCn1cc(CN2C(=O)CC(C(C)CC)C2=O)nn1.
What is the InChIKey of 3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is ITHFXLBACRJFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-4-7-25-9-10-26-8-6-21-12-15(19-20-21)13-22-17(23)11-16(18(22)24)14(3)5-2/h12,14,16H,4-11,13H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione?
3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 366.46 g/mol, XLogP of 1.64, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 167448063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).