N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

C28H25N3O5 — CID 35385832

IUPACN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc1N1CCCC1=O
InChIInChI=1S/C28H25N3O5/c1-36-24-12-10-20(17-23(24)30-14-5-8-25(30)32)29-26(33)19-9-11-21-22(16-19)28(35)31(27(21)34)15-13-18-6-3-2-4-7-18/h2-4,6-7,9-12,16-17H,5,8,13-15H2,1H3,(H,29,33)
InChIKeyGKIMUKABXSBSFW-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.91
Rot. Bonds7

About N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide (PubChem CID 35385832) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
PubChem CID35385832
Molecular FormulaC28H25N3O5
Molecular Weight483.52 g/mol
Exact Mass483.18
IUPAC NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc1N1CCCC1=O
InChIInChI=1S/C28H25N3O5/c1-36-24-12-10-20(17-23(24)30-14-5-8-25(30)32)29-26(33)19-9-11-21-22(16-19)28(35)31(27(21)34)15-13-18-6-3-2-4-7-18/h2-4,6-7,9-12,16-17H,5,8,13-15H2,1H3,(H,29,33)
InChIKeyGKIMUKABXSBSFW-UHFFFAOYSA-N
XLogP3.91
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 35386053
N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 27648770
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dipropoxybenzamide
CID 55657151
2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
CID 55675035
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543
N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55905919
2-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-iodophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 17171639

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide (CID 35385832) is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc1N1CCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The InChIKey is GKIMUKABXSBSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O5/c1-36-24-12-10-20(17-23(24)30-14-5-8-25(30)32)29-26(33)19-9-11-21-22(16-19)28(35)31(27(21)34)15-13-18-6-3-2-4-7-18/h2-4,6-7,9-12,16-17H,5,8,13-15H2,1H3,(H,29,33).
What are the key properties of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide is sourced from PubChem (CID 35385832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).