(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium

C18H19N2O3+ — CID 4068669

IUPAC(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]C2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H18N2O3/c1-23-15-9-7-13(8-10-15)12-19-16-11-17(21)20(18(16)22)14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/p+1
InChIKeyKBCFFMDJDDBDJN-UHFFFAOYSA-O
MW311.36 g/mol
LogP1.09
Rot. Bonds5

About (2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium

(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium (PubChem CID 4068669) has the molecular formula C18H19N2O3+ and a molecular weight of 311.36 g/mol. Its IUPAC name is (2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium
PubChem CID4068669
Molecular FormulaC18H19N2O3+
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]C2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H18N2O3/c1-23-15-9-7-13(8-10-15)12-19-16-11-17(21)20(18(16)22)14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/p+1
InChIKeyKBCFFMDJDDBDJN-UHFFFAOYSA-O
XLogP1.09
TPSA63.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.09
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

[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium
CID 7320954
[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 6968722
(3,4-dichlorophenyl)methyl-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7279556
[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(pyridin-3-ylmethyl)azanium
CID 4168854
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium
CID 3302744
benzyl-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 6925114
benzyl-[1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4078174
[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 6968752
2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7029981
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6944402
2-(4-chlorophenyl)ethyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4993829
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of (2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium (CID 4068669) is (2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for (2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for (2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium is COc1ccc(C[NH2+]C2CC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of (2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is KBCFFMDJDDBDJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18N2O3/c1-23-15-9-7-13(8-10-15)12-19-16-11-17(21)20(18(16)22)14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/p+1.
What are the key properties of (2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium?
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 311.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 4068669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).