1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione

C19H26N2O3 — CID 3057861

IUPAC1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
SMILESCN(CCO)CCCN1C(=O)CC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C19H26N2O3/c1-20(12-13-22)10-5-11-21-17(23)14-19(18(21)24)9-4-7-15-6-2-3-8-16(15)19/h2-3,6,8,22H,4-5,7,9-14H2,1H3
InChIKeyLRLKAUMICHBHGZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.33
Rot. Bonds6

About 1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione

1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione (PubChem CID 3057861) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
PubChem CID3057861
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
SMILESCN(CCO)CCCN1C(=O)CC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C19H26N2O3/c1-20(12-13-22)10-5-11-21-17(23)14-19(18(21)24)9-4-7-15-6-2-3-8-16(15)19/h2-3,6,8,22H,4-5,7,9-14H2,1H3
InChIKeyLRLKAUMICHBHGZ-UHFFFAOYSA-N
XLogP1.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Rac 109
CID 167664
2-(2-hydroxyethyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2856716
1'-(2-((2-Hydroxyethyl)(methyl)amino)ethyl)-3,4-dihydro-2H-spiro(naphthalene-1,3'-pyrrolidine)-2',5'-dione
CID 205129
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(3-(diethylamino)propyl)-7-methyl-
CID 205154
1'-(4-(Diethylamino)butyl)-3,4-dihydro-2H-spiro(naphthalene-1,3'-pyrrolidine)-2',5'-dione
CID 206628
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(3-morpholinopropyl)-, (+-)-
CID 3057860
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(3-((2-methoxyethyl)methylamino)propyl)-, (+-)-
CID 3057863
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(4-((2-hydroxyethyl)methylamino)butyl)-, (+-)-
CID 3057882
1-(4-Diethylamino-but-2-ynyl)-3,3-diphenyl-pyrrolidine-2,5-dione
CID 10248845
1-[4-(Diethylamino)but-2-ynyl]spiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2,5-dione
CID 10476118
US11584748, Example 78
CID 146189657
US11584748, Example 77
CID 146189681

Frequently Asked Questions

What is the IUPAC name of 1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of 1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione (CID 3057861) is 1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for 1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for 1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione is CN(CCO)CCCN1C(=O)CC2(CCCc3ccccc32)C1=O.
What is the InChIKey of 1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The InChIKey is LRLKAUMICHBHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-20(12-13-22)10-5-11-21-17(23)14-19(18(21)24)9-4-7-15-6-2-3-8-16(15)19/h2-3,6,8,22H,4-5,7,9-14H2,1H3.
What are the key properties of 1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione has a molecular weight of 330.43 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-[2-hydroxyethyl(methyl)amino]propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 3057861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).