3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

C23H30N2O3 — CID 596451

IUPAC3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(NCC34CC5CC(CC(C5)C3)C4)C2=O)cc1
InChIInChI=1S/C23H30N2O3/c1-2-28-19-5-3-18(4-6-19)25-21(26)10-20(22(25)27)24-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,15-17,20,24H,2,7-14H2,1H3
InChIKeyHRLCHGGPMZVKDH-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.52
Rot. Bonds6

About 3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 596451) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID596451
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(NCC34CC5CC(CC(C5)C3)C4)C2=O)cc1
InChIInChI=1S/C23H30N2O3/c1-2-28-19-5-3-18(4-6-19)25-21(26)10-20(22(25)27)24-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,15-17,20,24H,2,7-14H2,1H3
InChIKeyHRLCHGGPMZVKDH-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.52
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

(3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7236087
methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 2872639
(3S)-3-(1-adamantylmethylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 7236089
(3R)-3-[2-(2-chlorophenyl)ethylamino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 1022386
3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 71669987
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
(3R)-1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylamino)pyrrolidine-2,5-dione
CID 843089
(3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione
CID 843067
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844693
3-[3-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]propylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 4302030
(3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione
CID 7448639

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (CID 596451) is 3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(NCC34CC5CC(CC(C5)C3)C4)C2=O)cc1.
What is the InChIKey of 3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is HRLCHGGPMZVKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-2-28-19-5-3-18(4-6-19)25-21(26)10-20(22(25)27)24-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,15-17,20,24H,2,7-14H2,1H3.
What are the key properties of 3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 382.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 596451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).