N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide

C25H22N2O6 — CID 2332485

IUPACN-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2OC)c1
InChIInChI=1S/C25H22N2O6/c1-31-17-12-16(13-18(14-17)32-2)23(28)26(21-10-6-7-11-22(21)33-3)15-27-24(29)19-8-4-5-9-20(19)25(27)30/h4-14H,15H2,1-3H3
InChIKeyMOYRQLJAPFHWSA-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.61
Rot. Bonds7

About N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide

N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide (PubChem CID 2332485) has the molecular formula C25H22N2O6 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide
PubChem CID2332485
Molecular FormulaC25H22N2O6
Molecular Weight446.46 g/mol
Exact Mass446.15
IUPAC NameN-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2OC)c1
InChIInChI=1S/C25H22N2O6/c1-31-17-12-16(13-18(14-17)32-2)23(28)26(21-10-6-7-11-22(21)33-3)15-27-24(29)19-8-4-5-9-20(19)25(27)30/h4-14H,15H2,1-3H3
InChIKeyMOYRQLJAPFHWSA-UHFFFAOYSA-N
XLogP3.61
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide
CID 1039641
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide
CID 3419437
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide
CID 4682355
N-[[(1S,2S,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-3-methoxy-N-(2-methoxyphenyl)benzamide
CID 124714414
N-[[(1R,2R,6R,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-3-methoxy-N-(2-methoxyphenyl)benzamide
CID 100807973
N-[[(1S,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-3-methoxy-N-(2-methoxyphenyl)benzamide
CID 98106644
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide
CID 4282369
2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione
CID 10852650
tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate
CID 19001966
N-ethyl-N-(2-methoxyphenyl)benzamide
CID 138322543
N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
CID 1048581
N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-N-(2-methoxyphenyl)-4-methylbenzamide
CID 19646512

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide?
The IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide (CID 2332485) is N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide is COc1cc(OC)cc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2OC)c1.
What is the InChIKey of N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide?
The InChIKey is MOYRQLJAPFHWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6/c1-31-17-12-16(13-18(14-17)32-2)23(28)26(21-10-6-7-11-22(21)33-3)15-27-24(29)19-8-4-5-9-20(19)25(27)30/h4-14H,15H2,1-3H3.
What are the key properties of N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide?
N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide has a molecular weight of 446.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 2332485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).