1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione

C14H25N3O3 — CID 168747543

IUPAC1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione
SMILESCC(C)(C)NCCN(CCO)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H25N3O3/c1-14(2,3)15-6-7-16(10-11-18)8-9-17-12(19)4-5-13(17)20/h4-5,15,18H,6-11H2,1-3H3
InChIKeyWBIGTPVKFVGBTP-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.41
Rot. Bonds8

About 1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione

1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione (PubChem CID 168747543) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione
PubChem CID168747543
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione
SMILESCC(C)(C)NCCN(CCO)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H25N3O3/c1-14(2,3)15-6-7-16(10-11-18)8-9-17-12(19)4-5-13(17)20/h4-5,15,18H,6-11H2,1-3H3
InChIKeyWBIGTPVKFVGBTP-UHFFFAOYSA-N
XLogP-0.41
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,5-Dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite
CID 129103025
1-[2-(Tert-butylamino)ethyl]pyrrole-2,5-dione
CID 67129508
3-(2,5-dioxopyrrol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 68031967
N-(2-hydroxyethyl)acrylamide N,N-dimethylacrylamide
CID 86674668
Tert-butyl-[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethoxy]carbamic acid
CID 87143689
(E)-4-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide
CID 89465056
1-[2-(2-Hydroxyethylamino)ethyl]pyrrole-2,5-dione
CID 90070612
2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide
CID 118022981
N-[2-[2-hydroxyethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118100396
N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide
CID 123324841
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 129224255
N-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 129316095

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione (CID 168747543) is 1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione is CC(C)(C)NCCN(CCO)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione?
The InChIKey is WBIGTPVKFVGBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,3)15-6-7-16(10-11-18)8-9-17-12(19)4-5-13(17)20/h4-5,15,18H,6-11H2,1-3H3.
What are the key properties of 1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione?
1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione has a molecular weight of 283.37 g/mol, XLogP of -0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 168747543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).