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

C20H33N3O8 — CID 59314485

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H33N3O8/c1-2-21-18(25)6-9-28-11-13-30-15-16-31-14-12-29-10-7-22-17(24)5-8-23-19(26)3-4-20(23)27/h3-4H,2,5-16H2,1H3,(H,21,25)(H,22,24)
InChIKeyBVZZCBARUGUBME-UHFFFAOYSA-N
MW443.50 g/mol
LogP-0.99
Rot. Bonds19

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 59314485) has the molecular formula C20H33N3O8 and a molecular weight of 443.50 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID59314485
Molecular FormulaC20H33N3O8
Molecular Weight443.50 g/mol
Exact Mass443.23
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H33N3O8/c1-2-21-18(25)6-9-28-11-13-30-15-16-31-14-12-29-10-7-22-17(24)5-8-23-19(26)3-4-20(23)27/h3-4H,2,5-16H2,1H3,(H,21,25)(H,22,24)
InChIKeyBVZZCBARUGUBME-UHFFFAOYSA-N
XLogP-0.99
TPSA132.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 59314485) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is CCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is BVZZCBARUGUBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O8/c1-2-21-18(25)6-9-28-11-13-30-15-16-31-14-12-29-10-7-22-17(24)5-8-23-19(26)3-4-20(23)27/h3-4H,2,5-16H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 443.50 g/mol, XLogP of -0.99, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 59314485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).