1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione

C20H24N4O7 — CID 58734895

IUPAC1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione
SMILESCCC(=O)C(CNCC(=O)CN1C(=O)C=CC1=O)CNCC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C20H24N4O7/c1-2-16(27)13(7-21-9-14(25)11-23-17(28)3-4-18(23)29)8-22-10-15(26)12-24-19(30)5-6-20(24)31/h3-6,13,21-22H,2,7-12H2,1H3
InChIKeyAZWNAMNSTSIACA-UHFFFAOYSA-N
MW432.43 g/mol
LogP-2.25
Rot. Bonds14

About 1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione

1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione (PubChem CID 58734895) has the molecular formula C20H24N4O7 and a molecular weight of 432.43 g/mol. Its IUPAC name is 1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione
PubChem CID58734895
Molecular FormulaC20H24N4O7
Molecular Weight432.43 g/mol
Exact Mass432.16
IUPAC Name1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione
SMILESCCC(=O)C(CNCC(=O)CN1C(=O)C=CC1=O)CNCC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C20H24N4O7/c1-2-16(27)13(7-21-9-14(25)11-23-17(28)3-4-18(23)29)8-22-10-15(26)12-24-19(30)5-6-20(24)31/h3-6,13,21-22H,2,7-12H2,1H3
InChIKeyAZWNAMNSTSIACA-UHFFFAOYSA-N
XLogP-2.25
TPSA150.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 5-2.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione (CID 58734895) is 1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione is CCC(=O)C(CNCC(=O)CN1C(=O)C=CC1=O)CNCC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione?
The InChIKey is AZWNAMNSTSIACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O7/c1-2-16(27)13(7-21-9-14(25)11-23-17(28)3-4-18(23)29)8-22-10-15(26)12-24-19(30)5-6-20(24)31/h3-6,13,21-22H,2,7-12H2,1H3.
What are the key properties of 1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione?
1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione has a molecular weight of 432.43 g/mol, XLogP of -2.25, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-[[[3-(2,5-dioxopyrrol-1-yl)-2-oxopropyl]amino]methyl]-3-oxopentyl]amino]-2-oxopropyl]pyrrole-2,5-dione is sourced from PubChem (CID 58734895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).