N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C25H22N2O6 — CID 56507447

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O6/c1-31-20-11-15(12-21(32-2)23(20)33-3)13-22(28)26-16-7-6-8-17(14-16)27-24(29)18-9-4-5-10-19(18)25(27)30/h4-12,14H,13H2,1-3H3,(H,26,28)
InChIKeyVQHRMRNYLRPTAD-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.69
Rot. Bonds7

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 56507447) has the molecular formula C25H22N2O6 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID56507447
Molecular FormulaC25H22N2O6
Molecular Weight446.46 g/mol
Exact Mass446.15
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O6/c1-31-20-11-15(12-21(32-2)23(20)33-3)13-22(28)26-16-7-6-8-17(14-16)27-24(29)18-9-4-5-10-19(18)25(27)30/h4-12,14H,13H2,1-3H3,(H,26,28)
InChIKeyVQHRMRNYLRPTAD-UHFFFAOYSA-N
XLogP3.69
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.69
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

N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372
N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26517733
N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2406485
2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119351773
2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 30671146
2-[3-(3,4,5-trimethoxyphenyl)phenyl]isoindole-1,3-dione
CID 168517559
N-[3-(difluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55742320
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide
CID 113082993
N-pyridin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27700068
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-(2-anilino-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55836388

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 56507447) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is VQHRMRNYLRPTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6/c1-31-20-11-15(12-21(32-2)23(20)33-3)13-22(28)26-16-7-6-8-17(14-16)27-24(29)18-9-4-5-10-19(18)25(27)30/h4-12,14H,13H2,1-3H3,(H,26,28).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 446.46 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 56507447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).