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

C18H28N2O7 — CID 58203288

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESCCC(=O)CCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H28N2O7/c1-2-15(21)6-9-25-11-13-27-14-12-26-10-7-19-16(22)5-8-20-17(23)3-4-18(20)24/h3-4H,2,5-14H2,1H3,(H,19,22)
InChIKeySZTPDRARUXURDZ-UHFFFAOYSA-N
MW384.43 g/mol
LogP-0.16
Rot. Bonds16

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 58203288) has the molecular formula C18H28N2O7 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
PubChem CID58203288
Molecular FormulaC18H28N2O7
Molecular Weight384.43 g/mol
Exact Mass384.19
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESCCC(=O)CCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H28N2O7/c1-2-15(21)6-9-25-11-13-27-14-12-26-10-7-19-16(22)5-8-20-17(23)3-4-18(20)24/h3-4H,2,5-14H2,1H3,(H,19,22)
InChIKeySZTPDRARUXURDZ-UHFFFAOYSA-N
XLogP-0.16
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide (CID 58203288) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide is CCC(=O)CCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is SZTPDRARUXURDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O7/c1-2-15(21)6-9-25-11-13-27-14-12-26-10-7-19-16(22)5-8-20-17(23)3-4-18(20)24/h3-4H,2,5-14H2,1H3,(H,19,22).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 384.43 g/mol, XLogP of -0.16, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 58203288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).