2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide

C28H25N3O5 — CID 55675035

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1N1CCCC1=O
InChIInChI=1S/C28H25N3O5/c1-36-24-14-13-19(17-22(24)30-15-7-12-25(30)32)29-26(33)23(16-18-8-3-2-4-9-18)31-27(34)20-10-5-6-11-21(20)28(31)35/h2-6,8-11,13-14,17,23H,7,12,15-16H2,1H3,(H,29,33)
InChIKeyXBEDHTSNINVUDC-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.67
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide (PubChem CID 55675035) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
PubChem CID55675035
Molecular FormulaC28H25N3O5
Molecular Weight483.52 g/mol
Exact Mass483.18
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1N1CCCC1=O
InChIInChI=1S/C28H25N3O5/c1-36-24-14-13-19(17-22(24)30-15-7-12-25(30)32)29-26(33)23(16-18-8-3-2-4-9-18)31-27(34)20-10-5-6-11-21(20)28(31)35/h2-6,8-11,13-14,17,23H,7,12,15-16H2,1H3,(H,29,33)
InChIKeyXBEDHTSNINVUDC-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 35385832
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 2791502
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577
N-(4-ethylphenyl)-2-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 55684188
2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 146136090
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55691949
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55657173
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
CID 55685050
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-phenylpropanamide
CID 1076059
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
2-(2-fluorophenoxy)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7687155

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide (CID 55675035) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide is COc1ccc(NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1N1CCCC1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide?
The InChIKey is XBEDHTSNINVUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O5/c1-36-24-14-13-19(17-22(24)30-15-7-12-25(30)32)29-26(33)23(16-18-8-3-2-4-9-18)31-27(34)20-10-5-6-11-21(20)28(31)35/h2-6,8-11,13-14,17,23H,7,12,15-16H2,1H3,(H,29,33).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide has a molecular weight of 483.52 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 55675035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).