2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide

C27H20N2O6 — CID 108754317

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)C(C)N4C(=O)c5ccccc5C4=O)cc3)cc(=O)c2c1
InChIInChI=1S/C27H20N2O6/c1-15(29-26(32)19-5-3-4-6-20(19)27(29)33)25(31)28-17-9-7-16(8-10-17)24-14-22(30)21-13-18(34-2)11-12-23(21)35-24/h3-15H,1-2H3,(H,28,31)
InChIKeyPYZLJGBIBVMGFQ-UHFFFAOYSA-N
MW468.47 g/mol
LogP4.09
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide (PubChem CID 108754317) has the molecular formula C27H20N2O6 and a molecular weight of 468.47 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide
PubChem CID108754317
Molecular FormulaC27H20N2O6
Molecular Weight468.47 g/mol
Exact Mass468.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)C(C)N4C(=O)c5ccccc5C4=O)cc3)cc(=O)c2c1
InChIInChI=1S/C27H20N2O6/c1-15(29-26(32)19-5-3-4-6-20(19)27(29)33)25(31)28-17-9-7-16(8-10-17)24-14-22(30)21-13-18(34-2)11-12-23(21)35-24/h3-15H,1-2H3,(H,28,31)
InChIKeyPYZLJGBIBVMGFQ-UHFFFAOYSA-N
XLogP4.09
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108754354
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108730753
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730722
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]-2-(2,3,4,5,6-pentafluorophenoxy)propanamide
CID 110274171
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide (CID 108754317) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide is COc1ccc2oc(-c3ccc(NC(=O)C(C)N4C(=O)c5ccccc5C4=O)cc3)cc(=O)c2c1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide?
The InChIKey is PYZLJGBIBVMGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O6/c1-15(29-26(32)19-5-3-4-6-20(19)27(29)33)25(31)28-17-9-7-16(8-10-17)24-14-22(30)21-13-18(34-2)11-12-23(21)35-24/h3-15H,1-2H3,(H,28,31).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide has a molecular weight of 468.47 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide is sourced from PubChem (CID 108754317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).