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

C17H26N2O6 — CID 139443289

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide
SMILESCC(C)C(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H26N2O6/c1-13(2)14(20)6-9-24-11-12-25-10-7-18-15(21)5-8-19-16(22)3-4-17(19)23/h3-4,13H,5-12H2,1-2H3,(H,18,21)
InChIKeyZNHXRHVDPSPPNT-UHFFFAOYSA-N
MW354.40 g/mol
LogP0.07
Rot. Bonds13

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide (PubChem CID 139443289) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide
PubChem CID139443289
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide
SMILESCC(C)C(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H26N2O6/c1-13(2)14(20)6-9-24-11-12-25-10-7-18-15(21)5-8-19-16(22)3-4-17(19)23/h3-4,13H,5-12H2,1-2H3,(H,18,21)
InChIKeyZNHXRHVDPSPPNT-UHFFFAOYSA-N
XLogP0.07
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide (CID 139443289) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide is CC(C)C(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide?
The InChIKey is ZNHXRHVDPSPPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6/c1-13(2)14(20)6-9-24-11-12-25-10-7-18-15(21)5-8-19-16(22)3-4-17(19)23/h3-4,13H,5-12H2,1-2H3,(H,18,21).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide has a molecular weight of 354.40 g/mol, XLogP of 0.07, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide is sourced from PubChem (CID 139443289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).