3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione

C19H33N3O7 — CID 90742825

IUPAC3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione
SMILESCC(=O)CCCN1C(=O)C=CC1=O.CNCCOCCOCCNC(=O)CCO
InChIInChI=1S/C10H22N2O4.C9H11NO3/c1-11-3-6-15-8-9-16-7-4-12-10(14)2-5-13;1-7(11)3-2-6-10-8(12)4-5-9(10)13/h11,13H,2-9H2,1H3,(H,12,14);4-5H,2-3,6H2,1H3
InChIKeyOHNTVLYWAZEIGC-UHFFFAOYSA-N
MW415.49 g/mol
LogP-0.98
Rot. Bonds15

About 3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione

3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione (PubChem CID 90742825) has the molecular formula C19H33N3O7 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione
PubChem CID90742825
Molecular FormulaC19H33N3O7
Molecular Weight415.49 g/mol
Exact Mass415.23
IUPAC Name3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione
SMILESCC(=O)CCCN1C(=O)C=CC1=O.CNCCOCCOCCNC(=O)CCO
InChIInChI=1S/C10H22N2O4.C9H11NO3/c1-11-3-6-15-8-9-16-7-4-12-10(14)2-5-13;1-7(11)3-2-6-10-8(12)4-5-9(10)13/h11,13H,2-9H2,1H3,(H,12,14);4-5H,2-3,6H2,1H3
InChIKeyOHNTVLYWAZEIGC-UHFFFAOYSA-N
XLogP-0.98
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 5-0.98
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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Related Compounds

6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 171850558
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;ethane
CID 156743442
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;ethane;molecular hydrogen
CID 162430872
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 166090102
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(3-oxobutylperoxy)ethoxy]ethyl]propanamide;molecular hydrogen
CID 145117606
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propyl]propanamide
CID 170280660
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 135174898
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 158577719
tert-butyl N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
CID 154776106
N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide
CID 134416223

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione (CID 90742825) is 3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione is CC(=O)CCCN1C(=O)C=CC1=O.CNCCOCCOCCNC(=O)CCO.
What is the InChIKey of 3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione?
The InChIKey is OHNTVLYWAZEIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4.C9H11NO3/c1-11-3-6-15-8-9-16-7-4-12-10(14)2-5-13;1-7(11)3-2-6-10-8(12)4-5-9(10)13/h11,13H,2-9H2,1H3,(H,12,14);4-5H,2-3,6H2,1H3.
What are the key properties of 3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione?
3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione has a molecular weight of 415.49 g/mol, XLogP of -0.98, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 90742825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).