N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide

C22H24N4O2 — CID 111722785

IUPACN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCN1C(=O)c2ccccc2C1=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c1-23-22(25-13-11-17(15-25)16-7-3-2-4-8-16)24-12-14-26-20(27)18-9-5-6-10-19(18)21(26)28/h2-10,17H,11-15H2,1H3,(H,23,24)
InChIKeyXEAJXZRVOFQELV-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.35
Rot. Bonds4

About N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide

N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide (PubChem CID 111722785) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
PubChem CID111722785
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCN1C(=O)c2ccccc2C1=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c1-23-22(25-13-11-17(15-25)16-7-3-2-4-8-16)24-12-14-26-20(27)18-9-5-6-10-19(18)21(26)28/h2-10,17H,11-15H2,1H3,(H,23,24)
InChIKeyXEAJXZRVOFQELV-UHFFFAOYSA-N
XLogP2.35
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144978
N'-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723520
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N'-methyl-3-phenyl-N-(4-pyrrolidin-1-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111723512
N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111724300
N'-methyl-3-phenyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111992856
N'-methyl-N-(2-phenoxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723460
N-[4-(diethylamino)butyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111723251
N-(2-butoxyethyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111724061
N-(3-ethoxypropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723410
N'-methyl-3-phenyl-N-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722886
N'-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111724117

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide (CID 111722785) is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide is C/N=C(/NCCN1C(=O)c2ccccc2C1=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
The InChIKey is XEAJXZRVOFQELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-23-22(25-13-11-17(15-25)16-7-3-2-4-8-16)24-12-14-26-20(27)18-9-5-6-10-19(18)21(26)28/h2-10,17H,11-15H2,1H3,(H,23,24).
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide has a molecular weight of 376.46 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111722785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).