N-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide

C18H18N2O4 — CID 776110

IUPACN-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccc(NC(C)=O)cc1)C2
InChIInChI=1S/C18H18N2O4/c1-11(21)19-13-5-7-14(8-6-13)20-10-12-4-9-15(23-2)17(24-3)16(12)18(20)22/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyQAUAKSUMGRFCDI-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.82
Rot. Bonds4

About N-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide

N-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide (PubChem CID 776110) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide
PubChem CID776110
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccc(NC(C)=O)cc1)C2
InChIInChI=1S/C18H18N2O4/c1-11(21)19-13-5-7-14(8-6-13)20-10-12-4-9-15(23-2)17(24-3)16(12)18(20)22/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyQAUAKSUMGRFCDI-UHFFFAOYSA-N
XLogP2.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Narceine imide
CID 5459241
3-(6-Ethenyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methylisoquinolin-1-one
CID 10021739
2-[2-(4-Aminophenyl)ethyl]-4,5-bispentyloxy-2,3-dihydroisoindol-1-one
CID 19363234
5-(3-Fluoropropoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266312
2-[4-(dimethylamino)phenyl]-5-methoxy-3H-isoindol-1-one
CID 25266314
5-(2-fluoroethoxy)-2-[4-(methylamino)phenyl]-3H-isoindol-1-one
CID 25266341
2-(4-aminophenyl)-5-(2-fluoroethoxy)-3H-isoindol-1-one
CID 25267381
2-(4-aminophenyl)-5-(3-fluoropropoxy)-3H-isoindol-1-one
CID 25267382
5-(3-fluoropropoxy)-2-[4-(methylamino)phenyl]-3H-isoindol-1-one
CID 25267383
2-[4-(Dimethylamino)phenyl]-5-methoxyisoindole-1,3-dione
CID 25270868
N-[4-(diethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 844944
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide (CID 776110) is N-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide is COc1ccc2c(c1OC)C(=O)N(c1ccc(NC(C)=O)cc1)C2.
What is the InChIKey of N-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide?
The InChIKey is QAUAKSUMGRFCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11(21)19-13-5-7-14(8-6-13)20-10-12-4-9-15(23-2)17(24-3)16(12)18(20)22/h4-9H,10H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide?
N-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide is sourced from PubChem (CID 776110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).