1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione

C21H30N2O7 — CID 159184415

IUPAC1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC(=O)CCOCCCC(=O)CN2C(=O)CC(C(C)C)C2=O)C1=O
InChIInChI=1S/C21H30N2O7/c1-13(2)17-10-19(27)23(21(17)29)11-15(24)5-4-7-30-8-6-16(25)12-22-18(26)9-14(3)20(22)28/h13-14,17H,4-12H2,1-3H3
InChIKeyDSHFLRRSTUTHSM-UHFFFAOYSA-N
MW422.48 g/mol
LogP0.74
Rot. Bonds12

About 1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione

1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 159184415) has the molecular formula C21H30N2O7 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione
PubChem CID159184415
Molecular FormulaC21H30N2O7
Molecular Weight422.48 g/mol
Exact Mass422.21
IUPAC Name1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC(=O)CCOCCCC(=O)CN2C(=O)CC(C(C)C)C2=O)C1=O
InChIInChI=1S/C21H30N2O7/c1-13(2)17-10-19(27)23(21(17)29)11-15(24)5-4-7-30-8-6-16(25)12-22-18(26)9-14(3)20(22)28/h13-14,17H,4-12H2,1-3H3
InChIKeyDSHFLRRSTUTHSM-UHFFFAOYSA-N
XLogP0.74
TPSA118.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 50.74
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'}

Analyze 1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(3-methylbutoxy)-4-oxohexyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 157219213
3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
CID 71056162
ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 176682927
1-(5-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 130267117
1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 118459071
1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 154612252
1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 170045082
N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide
CID 153317713
1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 59713237
1-[2-[2-[2-[2-[3-(4-iodopiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 145076750
1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134403407
2-[2-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexoxy]ethoxy]-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide
CID 58143581

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione (CID 159184415) is 1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CC(=O)CCOCCCC(=O)CN2C(=O)CC(C(C)C)C2=O)C1=O.
What is the InChIKey of 1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is DSHFLRRSTUTHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O7/c1-13(2)17-10-19(27)23(21(17)29)11-15(24)5-4-7-30-8-6-16(25)12-22-18(26)9-14(3)20(22)28/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione?
1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 422.48 g/mol, XLogP of 0.74, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxopentoxy]-2-oxobutyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 159184415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).