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

C20H32N4O8 — CID 59450641

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
SMILESCCCOCC(=O)NCCOCCOCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H32N4O8/c1-2-10-31-14-18(27)23-8-11-30-12-13-32-15-17(26)22-7-6-21-16(25)5-9-24-19(28)3-4-20(24)29/h3-4H,2,5-15H2,1H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyMWXPQEVGHRIKDE-UHFFFAOYSA-N
MW456.50 g/mol
LogP-1.89
Rot. Bonds18

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide (PubChem CID 59450641) has the molecular formula C20H32N4O8 and a molecular weight of 456.50 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
PubChem CID59450641
Molecular FormulaC20H32N4O8
Molecular Weight456.50 g/mol
Exact Mass456.22
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
SMILESCCCOCC(=O)NCCOCCOCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H32N4O8/c1-2-10-31-14-18(27)23-8-11-30-12-13-32-15-17(26)22-7-6-21-16(25)5-9-24-19(28)3-4-20(24)29/h3-4H,2,5-15H2,1H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyMWXPQEVGHRIKDE-UHFFFAOYSA-N
XLogP-1.89
TPSA152.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
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-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide (CID 59450641) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide is CCCOCC(=O)NCCOCCOCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide?
The InChIKey is MWXPQEVGHRIKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O8/c1-2-10-31-14-18(27)23-8-11-30-12-13-32-15-17(26)22-7-6-21-16(25)5-9-24-19(28)3-4-20(24)29/h3-4H,2,5-15H2,1H3,(H,21,25)(H,22,26)(H,23,27).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide has a molecular weight of 456.50 g/mol, XLogP of -1.89, 18 rotatable bonds, 3 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-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 59450641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).