3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide

C20H32N2O5 — CID 142495527

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide
SMILESCCC(C)(COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O)CC(C)=O
InChIInChI=1S/C20H32N2O5/c1-6-20(5,11-15(2)23)14-27-13-19(3,4)12-21-16(24)9-10-22-17(25)7-8-18(22)26/h7-8H,6,9-14H2,1-5H3,(H,21,24)
InChIKeyYFAARKQYTXJGMR-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.86
Rot. Bonds12

About 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide (PubChem CID 142495527) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide
PubChem CID142495527
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide
SMILESCCC(C)(COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O)CC(C)=O
InChIInChI=1S/C20H32N2O5/c1-6-20(5,11-15(2)23)14-27-13-19(3,4)12-21-16(24)9-10-22-17(25)7-8-18(22)26/h7-8H,6,9-14H2,1-5H3,(H,21,24)
InChIKeyYFAARKQYTXJGMR-UHFFFAOYSA-N
XLogP1.86
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide (CID 142495527) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide is CCC(C)(COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O)CC(C)=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide?
The InChIKey is YFAARKQYTXJGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5/c1-6-20(5,11-15(2)23)14-27-13-19(3,4)12-21-16(24)9-10-22-17(25)7-8-18(22)26/h7-8H,6,9-14H2,1-5H3,(H,21,24).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide has a molecular weight of 380.49 g/mol, XLogP of 1.86, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide is sourced from PubChem (CID 142495527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).