3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide

C23H32N4O10 — CID 59628087

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide
SMILESCC(COCC(O)CNC(=O)CCN1C(=O)C=CC1=O)OCC(O)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C23H32N4O10/c1-15(37-14-17(29)11-25-19(31)7-9-27-22(34)4-5-23(27)35)12-36-13-16(28)10-24-18(30)6-8-26-20(32)2-3-21(26)33/h2-5,15-17,28-29H,6-14H2,1H3,(H,24,30)(H,25,31)
InChIKeyXNITVPNDYCTUGD-UHFFFAOYSA-N
MW524.53 g/mol
LogP-3.01
Rot. Bonds17

About 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide (PubChem CID 59628087) has the molecular formula C23H32N4O10 and a molecular weight of 524.53 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide
PubChem CID59628087
Molecular FormulaC23H32N4O10
Molecular Weight524.53 g/mol
Exact Mass524.21
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide
SMILESCC(COCC(O)CNC(=O)CCN1C(=O)C=CC1=O)OCC(O)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C23H32N4O10/c1-15(37-14-17(29)11-25-19(31)7-9-27-22(34)4-5-23(27)35)12-36-13-16(28)10-24-18(30)6-8-26-20(32)2-3-21(26)33/h2-5,15-17,28-29H,6-14H2,1H3,(H,24,30)(H,25,31)
InChIKeyXNITVPNDYCTUGD-UHFFFAOYSA-N
XLogP-3.01
TPSA191.88 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.53
LogP ≤ 5-3.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N,N'-(2-Hydroxy-1,3-propanediyl)bis(2,5-dihydro-2,5-dioxo-1H-pyrrole-1-propanamide)
CID 3082722
N,N'-((Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide)
CID 59628078
alpha-[2-[[3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethyl]-omega-hydroxypoly(oxy-1,2-ethanediyl)
CID 68311348
N-(3-(2,3-Bis(2-methoxyethoxy)propoxy)propyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 122413883
N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide
CID 22614193
N,N'-(((Oxybis(ethane-2,1-diyl))bis(oxy))bis(propane-3,1-diyl))bis(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide)
CID 51340938
m-PEG8-Mal
CID 51341050
1-[3-[2-[3-(2,5-Dioxopyrrol-1-yl)-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]pyrrole-2,5-dione
CID 57958978
ethyl (1Z)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]ethanimidate
CID 58069218
N-[3-[2,3-bis[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 58253060
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 59314485
N-[3-[2,3-bis[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 59628081

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide (CID 59628087) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide is CC(COCC(O)CNC(=O)CCN1C(=O)C=CC1=O)OCC(O)CNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide?
The InChIKey is XNITVPNDYCTUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O10/c1-15(37-14-17(29)11-25-19(31)7-9-27-22(34)4-5-23(27)35)12-36-13-16(28)10-24-18(30)6-8-26-20(32)2-3-21(26)33/h2-5,15-17,28-29H,6-14H2,1H3,(H,24,30)(H,25,31).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide has a molecular weight of 524.53 g/mol, XLogP of -3.01, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]propanamide is sourced from PubChem (CID 59628087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).