N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide

C17H20N4O7 — CID 22614193

IUPACN-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide
SMILESNCC(O)CN(C(=O)CCN1C(=O)C=CC1=O)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H20N4O7/c18-9-11(22)10-21(16(27)5-7-19-12(23)1-2-13(19)24)17(28)6-8-20-14(25)3-4-15(20)26/h1-4,11,22H,5-10,18H2
InChIKeyNJQUSRTWHONIHH-UHFFFAOYSA-N
MW392.37 g/mol
LogP-2.71
Rot. Bonds9

About N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide

N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide (PubChem CID 22614193) has the molecular formula C17H20N4O7 and a molecular weight of 392.37 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide
PubChem CID22614193
Molecular FormulaC17H20N4O7
Molecular Weight392.37 g/mol
Exact Mass392.13
IUPAC NameN-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide
SMILESNCC(O)CN(C(=O)CCN1C(=O)C=CC1=O)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H20N4O7/c18-9-11(22)10-21(16(27)5-7-19-12(23)1-2-13(19)24)17(28)6-8-20-14(25)3-4-15(20)26/h1-4,11,22H,5-10,18H2
InChIKeyNJQUSRTWHONIHH-UHFFFAOYSA-N
XLogP-2.71
TPSA158.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 5-2.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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
2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide
CID 19108184
1-[3-[[3-[3-(2,5-Dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione
CID 19438623
1-[3-(2,5-Dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione
CID 58402351
(Z)-N,N'-bis[3-[bis(2-hydroxyethyl)amino]propyl]but-2-enediamide
CID 58658731
3-(2,5-dioxopyrrol-1-yl)-N-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]propanamide
CID 59628082
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
N-[3-[2-(3-amino-2-hydroxypropoxy)-3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]propoxy]-2-hydroxypropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 59628088
3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxymethylamino]propyl]propanamide
CID 60035179
3-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide
CID 68404499
N,N'-bis[3-[bis(2-hydroxyethyl)amino]propyl]but-2-enediamide
CID 72384679
(Z)-N-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]-4-oxobut-2-enamide
CID 88892181

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide (CID 22614193) is N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide is NCC(O)CN(C(=O)CCN1C(=O)C=CC1=O)C(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide?
The InChIKey is NJQUSRTWHONIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O7/c18-9-11(22)10-21(16(27)5-7-19-12(23)1-2-13(19)24)17(28)6-8-20-14(25)3-4-15(20)26/h1-4,11,22H,5-10,18H2.
What are the key properties of N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide?
N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide has a molecular weight of 392.37 g/mol, XLogP of -2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide is sourced from PubChem (CID 22614193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).