3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

C16H22N2O4 — CID 3720152

IUPAC3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)CC(NCCCO)C2=O)cc1
InChIInChI=1S/C16H22N2O4/c1-2-10-22-13-6-4-12(5-7-13)18-15(20)11-14(16(18)21)17-8-3-9-19/h4-7,14,17,19H,2-3,8-11H2,1H3
InChIKeyVQBCGGUTKXQHKH-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.08
Rot. Bonds8

About 3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 3720152) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID3720152
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)CC(NCCCO)C2=O)cc1
InChIInChI=1S/C16H22N2O4/c1-2-10-22-13-6-4-12(5-7-13)18-15(20)11-14(16(18)21)17-8-3-9-19/h4-7,14,17,19H,2-3,8-11H2,1H3
InChIKeyVQBCGGUTKXQHKH-UHFFFAOYSA-N
XLogP1.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]propylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 4302030
3-[3-(4-ethylpiperazin-1-yl)propylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 2936264
2-[[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile
CID 7013367
(3S)-3-(cyclopropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 92693012
(3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 98158192
(3R)-3-(1-adamantylmethylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7236087
(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
(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7025063
(3S)-1-(4-bromophenyl)-3-(4-hydroxybutylamino)pyrrolidine-2,5-dione
CID 7298446
4-[2-[[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 2869088
(3S)-3-(4-methylsulfanylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 51659053

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (CID 3720152) is 3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1ccc(N2C(=O)CC(NCCCO)C2=O)cc1.
What is the InChIKey of 3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is VQBCGGUTKXQHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-2-10-22-13-6-4-12(5-7-13)18-15(20)11-14(16(18)21)17-8-3-9-19/h4-7,14,17,19H,2-3,8-11H2,1H3.
What are the key properties of 3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 306.36 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3720152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).