[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium

C19H21N2O2+ — CID 4187294

IUPAC[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
SMILESCc1ccc(N2C(=O)CC([NH2+]CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-14-7-9-16(10-8-14)21-18(22)13-17(19(21)23)20-12-11-15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3/p+1
InChIKeyZQMQHNKBBZHISC-UHFFFAOYSA-O
MW309.39 g/mol
LogP1.43
Rot. Bonds5

About [1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium

[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium (PubChem CID 4187294) has the molecular formula C19H21N2O2+ and a molecular weight of 309.39 g/mol. Its IUPAC name is [1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium.

Molecular Properties

Compound Name[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
PubChem CID4187294
Molecular FormulaC19H21N2O2+
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
SMILESCc1ccc(N2C(=O)CC([NH2+]CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-14-7-9-16(10-8-14)21-18(22)13-17(19(21)23)20-12-11-15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3/p+1
InChIKeyZQMQHNKBBZHISC-UHFFFAOYSA-O
XLogP1.43
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6944402
2-(2-fluorophenyl)ethyl-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4184953
[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 2273222
[(3R)-1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6959898
2-(4-chlorophenyl)ethyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4993829
[(3S)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 7453507
2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7117747
[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-[(2S)-2-phenylpropyl]azanium
CID 6935449
2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7029981
[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(pyridin-3-ylmethyl)azanium
CID 4187193
[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(pyridin-3-ylmethyl)azanium
CID 7308135
2-(4-chlorophenyl)ethyl-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4246990

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium?
The IUPAC name of [1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium (CID 4187294) is [1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium.
What is the SMILES notation for [1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium?
The canonical SMILES for [1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium is Cc1ccc(N2C(=O)CC([NH2+]CCc3ccccc3)C2=O)cc1.
What is the InChIKey of [1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium?
The InChIKey is ZQMQHNKBBZHISC-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20N2O2/c1-14-7-9-16(10-8-14)21-18(22)13-17(19(21)23)20-12-11-15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3/p+1.
What are the key properties of [1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium?
[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium has a molecular weight of 309.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium is sourced from PubChem (CID 4187294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).