3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide

C24H34N4O7 — CID 123532642

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide
SMILESCC(C)(CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C24H34N4O7/c1-23(2,26-18(30)10-15-28-21(33)7-8-22(28)34)12-16-35-24(3,4)11-13-25-17(29)9-14-27-19(31)5-6-20(27)32/h5-8H,9-16H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyIEEYFQHMHDQFND-UHFFFAOYSA-N
MW490.56 g/mol
LogP0.20
Rot. Bonds14

About 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide (PubChem CID 123532642) has the molecular formula C24H34N4O7 and a molecular weight of 490.56 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide
PubChem CID123532642
Molecular FormulaC24H34N4O7
Molecular Weight490.56 g/mol
Exact Mass490.24
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide
SMILESCC(C)(CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C24H34N4O7/c1-23(2,26-18(30)10-15-28-21(33)7-8-22(28)34)12-16-35-24(3,4)11-13-25-17(29)9-14-27-19(31)5-6-20(27)32/h5-8H,9-16H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyIEEYFQHMHDQFND-UHFFFAOYSA-N
XLogP0.20
TPSA142.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide (CID 123532642) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide is CC(C)(CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O)NC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide?
The InChIKey is IEEYFQHMHDQFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O7/c1-23(2,26-18(30)10-15-28-21(33)7-8-22(28)34)12-16-35-24(3,4)11-13-25-17(29)9-14-27-19(31)5-6-20(27)32/h5-8H,9-16H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide has a molecular weight of 490.56 g/mol, XLogP of 0.20, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-methylbutoxy]-3-methylbutyl]propanamide is sourced from PubChem (CID 123532642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).