1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione

C22H32N2O2 — CID 160802121

IUPAC1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione
SMILESCCCCc1ccc(N2C(=O)C(C)C(C(CC)N3CCCC3)C2=O)cc1
InChIInChI=1S/C22H32N2O2/c1-4-6-9-17-10-12-18(13-11-17)24-21(25)16(3)20(22(24)26)19(5-2)23-14-7-8-15-23/h10-13,16,19-20H,4-9,14-15H2,1-3H3
InChIKeyZNSCXAGYNLRAFE-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.03
Rot. Bonds7

About 1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione

1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione (PubChem CID 160802121) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione
PubChem CID160802121
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione
SMILESCCCCc1ccc(N2C(=O)C(C)C(C(CC)N3CCCC3)C2=O)cc1
InChIInChI=1S/C22H32N2O2/c1-4-6-9-17-10-12-18(13-11-17)24-21(25)16(3)20(22(24)26)19(5-2)23-14-7-8-15-23/h10-13,16,19-20H,4-9,14-15H2,1-3H3
InChIKeyZNSCXAGYNLRAFE-UHFFFAOYSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylphenyl)-3,4-diiodopyrrole-2,5-dione
CID 100958944
3-(1-cyclohexylpropyl)-1-(4-hydroxyphenyl)-4-methylpyrrolidine-2,5-dione
CID 20591032
1-(4-pentylphenyl)pyrrolidine
CID 168512151
(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione
CID 98395221
3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane
CID 163496658
(2S)-3-(4-butylphenyl)-2-piperidin-1-ylpropanoic acid
CID 100553874
2-(4-butylphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79924280
2-(4-butylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one
CID 13189630
(1S,2S,6R,7R,8S,10R)-4-(4-propylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodecane-3,5-dione
CID 68543268
1-(4-butylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 43378466
2-(4-butylphenyl)-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 23991028
3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione
CID 71287959

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione (CID 160802121) is 1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione is CCCCc1ccc(N2C(=O)C(C)C(C(CC)N3CCCC3)C2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione?
The InChIKey is ZNSCXAGYNLRAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-4-6-9-17-10-12-18(13-11-17)24-21(25)16(3)20(22(24)26)19(5-2)23-14-7-8-15-23/h10-13,16,19-20H,4-9,14-15H2,1-3H3.
What are the key properties of 1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione?
1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione has a molecular weight of 356.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-methyl-4-(1-pyrrolidin-1-ylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 160802121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).