1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C16H22N2O2 — CID 62303702

IUPAC1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(c2ccc(CCN)cc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-11(2)16(3)10-14(19)18(15(16)20)13-6-4-12(5-7-13)8-9-17/h4-7,11H,8-10,17H2,1-3H3
InChIKeyPSWLVXOJUUIVDV-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.11
Rot. Bonds4

About 1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 62303702) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID62303702
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(c2ccc(CCN)cc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-11(2)16(3)10-14(19)18(15(16)20)13-6-4-12(5-7-13)8-9-17/h4-7,11H,8-10,17H2,1-3H3
InChIKeyPSWLVXOJUUIVDV-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Methylphenyl)succinimide
CID 75335
3-(4'-Aminophenyl)-3-ethylpyrollidine-2,5-dione
CID 124662
3-(4-Aminophenyl)-3-methylpyrrolidine-2,5-dione
CID 13596072
(1S,2S)-1-(dimethylcarbamoyl)-1-(4-acetamidophenyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropan-2-aminium
CID 23647704
(2S,3S)-3-(4-acetamidophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium
CID 23647706
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-[4-(N-methylacetamido)phenyl]-3-oxopropan-2-aminium
CID 23647708
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(N-methylacetamido)phenyl]-1-oxobutan-2-aminium
CID 23647710
1-(4-Methylphenyl)-3-[(4-methylphenyl)amino]-2,5-pyrrolidinedione
CID 2927700
1-Phenyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865487
N-(2-phenylethyl)-N'-[4-(propan-2-yl)phenyl]pentanediamide
CID 3254185
N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4879485
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)butanamide
CID 6463056

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 62303702) is 1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(c2ccc(CCN)cc2)C1=O.
What is the InChIKey of 1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is PSWLVXOJUUIVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)16(3)10-14(19)18(15(16)20)13-6-4-12(5-7-13)8-9-17/h4-7,11H,8-10,17H2,1-3H3.
What are the key properties of 1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 62303702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).