3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide

C20H34N2O5 — CID 91491022

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide
SMILESCCC(C)(CC)OCCC(C)(C)OCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H34N2O5/c1-6-20(5,7-2)27-14-11-19(3,4)26-15-12-21-16(23)10-13-22-17(24)8-9-18(22)25/h8-9H,6-7,10-15H2,1-5H3,(H,21,23)
InChIKeyUUCBZYLYOGDLBY-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.20
Rot. Bonds13

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide (PubChem CID 91491022) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide
PubChem CID91491022
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide
SMILESCCC(C)(CC)OCCC(C)(C)OCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H34N2O5/c1-6-20(5,7-2)27-14-11-19(3,4)26-15-12-21-16(23)10-13-22-17(24)8-9-18(22)25/h8-9H,6-7,10-15H2,1-5H3,(H,21,23)
InChIKeyUUCBZYLYOGDLBY-UHFFFAOYSA-N
XLogP2.20
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide (CID 91491022) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide is CCC(C)(CC)OCCC(C)(C)OCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide?
The InChIKey is UUCBZYLYOGDLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O5/c1-6-20(5,7-2)27-14-11-19(3,4)26-15-12-21-16(23)10-13-22-17(24)8-9-18(22)25/h8-9H,6-7,10-15H2,1-5H3,(H,21,23).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide has a molecular weight of 382.50 g/mol, XLogP of 2.20, 13 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-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide is sourced from PubChem (CID 91491022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).