(3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione

C17H22N2O4 — CID 843067

IUPAC(3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@@H](NC[C@H]3CCCO3)C2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-2-22-13-7-5-12(6-8-13)19-16(20)10-15(17(19)21)18-11-14-4-3-9-23-14/h5-8,14-15,18H,2-4,9-11H2,1H3/t14-,15-/m1/s1
InChIKeyBMWJYAWLINOLDK-HUUCEWRRSA-N
MW318.37 g/mol
LogP1.49
Rot. Bonds6

About (3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione

(3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione (PubChem CID 843067) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione
PubChem CID843067
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@@H](NC[C@H]3CCCO3)C2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-2-22-13-7-5-12(6-8-13)19-16(20)10-15(17(19)21)18-11-14-4-3-9-23-14/h5-8,14-15,18H,2-4,9-11H2,1H3/t14-,15-/m1/s1
InChIKeyBMWJYAWLINOLDK-HUUCEWRRSA-N
XLogP1.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820458
(3R)-1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylamino)pyrrolidine-2,5-dione
CID 843089
methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 2872639
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
(3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione
CID 7448639
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
CID 23943123
(3R)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 96838015
(3S)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 97290160
3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 596451
3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 71669987
(3R)-1-(4-ethoxyphenyl)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione
CID 755852
(3S)-3-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 11895663

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione (CID 843067) is (3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)C[C@@H](NC[C@H]3CCCO3)C2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione?
The InChIKey is BMWJYAWLINOLDK-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-2-22-13-7-5-12(6-8-13)19-16(20)10-15(17(19)21)18-11-14-4-3-9-23-14/h5-8,14-15,18H,2-4,9-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione?
(3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione has a molecular weight of 318.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 843067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).