1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione

C18H19N3O3 — CID 2928646

IUPAC1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(NCCc3ccccn3)C2=O)cc1
InChIInChI=1S/C18H19N3O3/c1-24-15-7-5-14(6-8-15)21-17(22)12-16(18(21)23)20-11-9-13-4-2-3-10-19-13/h2-8,10,16,20H,9,11-12H2,1H3
InChIKeyVTCIKDFHRDZAAQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.55
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione

1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione (PubChem CID 2928646) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
PubChem CID2928646
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(NCCc3ccccn3)C2=O)cc1
InChIInChI=1S/C18H19N3O3/c1-24-15-7-5-14(6-8-15)21-17(22)12-16(18(21)23)20-11-9-13-4-2-3-10-19-13/h2-8,10,16,20H,9,11-12H2,1H3
InChIKeyVTCIKDFHRDZAAQ-UHFFFAOYSA-N
XLogP1.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.55
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

(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
1-(4-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 2927944
3-[2-(2-chlorophenyl)ethylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 4106401
(3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione
CID 2162408
(3S)-1-(4-methoxyphenyl)-3-(3-methoxypropylamino)pyrrolidine-2,5-dione
CID 7471057
(3R)-1-(4-methoxyphenyl)-3-(3-methoxypropylamino)pyrrolidine-2,5-dione
CID 7471055
1-propan-2-yl-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 43636523
(3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 98158192
(3R)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 96838015
(3S)-3-(cyclopropylmethylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 97290160
4-[2-[[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 7318799
1-(4-methoxyphenyl)-3-(2-piperidin-1-ylethylamino)pyrrolidine-2,5-dione
CID 3148436

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione (CID 2928646) is 1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(NCCc3ccccn3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione?
The InChIKey is VTCIKDFHRDZAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-15-7-5-14(6-8-15)21-17(22)12-16(18(21)23)20-11-9-13-4-2-3-10-19-13/h2-8,10,16,20H,9,11-12H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione has a molecular weight of 325.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2928646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).