1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione

C17H23NO4 — CID 122138338

IUPAC1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC(C)OCC(O)CN1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C17H23NO4/c1-12(2)22-11-14(19)10-18-15(20)9-17(3,16(18)21)13-7-5-4-6-8-13/h4-8,12,14,19H,9-11H2,1-3H3
InChIKeyUWSCUWRNEMAGJS-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.49
Rot. Bonds6

About 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione

1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 122138338) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
PubChem CID122138338
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC(C)OCC(O)CN1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C17H23NO4/c1-12(2)22-11-14(19)10-18-15(20)9-17(3,16(18)21)13-7-5-4-6-8-13/h4-8,12,14,19H,9-11H2,1-3H3
InChIKeyUWSCUWRNEMAGJS-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(3-((2-hydroxyethyl)methylamino)propyl)-, (+-)-
CID 3057861
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(4-((2-hydroxyethyl)methylamino)butyl)-, (+-)-
CID 3057882
1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 137643625
1-(3-((2-Hydroxyethyl)(methyl)amino)propyl)-3-phenyl-3-propylpyrrolidine-2,5-dione
CID 211739
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(3-(ethyl(2-hydroxyethyl)amino)propyl)-, (+-)-
CID 3057862
8-[2-(2-Hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72855189
3-Methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-phenylpyrrolidine-2,5-dione
CID 122190155
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 137631574
trans-1-(3-Biphenyl-4-ylpropanoyl)-4-ethoxypyrrolidin-3-ol
CID 91761517
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
CID 91784566
N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxo-3-pyrrolidinyl]-N-(2-hydroxyethyl)acetamide
CID 45177601
2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxo-3-pyrrolidinyl]-N-(2-methoxyethyl)-N-methylacetamide
CID 45185127

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione (CID 122138338) is 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione is CC(C)OCC(O)CN1C(=O)CC(C)(c2ccccc2)C1=O.
What is the InChIKey of 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is UWSCUWRNEMAGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(2)22-11-14(19)10-18-15(20)9-17(3,16(18)21)13-7-5-4-6-8-13/h4-8,12,14,19H,9-11H2,1-3H3.
What are the key properties of 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 305.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 122138338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).