1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione

C18H24ClNO3 — CID 170360914

IUPAC1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione
SMILESCCC(CN1C(=O)CCC1=O)OCC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H24ClNO3/c1-3-16(11-20-17(21)8-9-18(20)22)23-12-13(2)10-14-4-6-15(19)7-5-14/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyJXGDAPPKWVIDIT-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.46
Rot. Bonds8

About 1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione

1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione (PubChem CID 170360914) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione
PubChem CID170360914
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione
SMILESCCC(CN1C(=O)CCC1=O)OCC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H24ClNO3/c1-3-16(11-20-17(21)8-9-18(20)22)23-12-13(2)10-14-4-6-15(19)7-5-14/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyJXGDAPPKWVIDIT-UHFFFAOYSA-N
XLogP3.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.46
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-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene
CID 170359359
N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17467880
2-[(1R)-1-[3-(4-chlorophenyl)-2-methylpropoxy]propyl]-5-methyl-1,3,4-oxadiazole
CID 170359543
1-(2-bromo-3-methylpentyl)-4-chlorobenzene
CID 63543295
3-(4-chlorophenyl)-2-ethoxypropanoic acid
CID 84726078
1-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-methylpyrrolidin-2-one
CID 91339792
1-[(4-chlorophenyl)methyl]-5-(2,6-dimethylheptan-4-yloxymethyl)pyrrolidin-2-one
CID 10761369
1-(2-bromo-4-methylhexyl)-4-chlorobenzene
CID 114876742
1-(4-chlorophenyl)-4-methylhexan-2-ol
CID 62607986
bis[1-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]butan-2-yl] butanedioate
CID 70604000
(2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal
CID 22860992
1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one
CID 69221614

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione (CID 170360914) is 1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione is CCC(CN1C(=O)CCC1=O)OCC(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione?
The InChIKey is JXGDAPPKWVIDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-3-16(11-20-17(21)8-9-18(20)22)23-12-13(2)10-14-4-6-15(19)7-5-14/h4-7,13,16H,3,8-12H2,1-2H3.
What are the key properties of 1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione?
1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione has a molecular weight of 337.85 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-chlorophenyl)-2-methylpropoxy]butyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 170360914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).