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

C18H18N2O4 — CID 681912

IUPACN-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide
SMILESCOc1ccc2c(c1OC)C(=O)N(c1cccc(NC(C)=O)c1)C2
InChIInChI=1S/C18H18N2O4/c1-11(21)19-13-5-4-6-14(9-13)20-10-12-7-8-15(23-2)17(24-3)16(12)18(20)22/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyWIIBYWQYFLGQBT-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.82
Rot. Bonds4

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

N-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide (PubChem CID 681912) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide
PubChem CID681912
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide
SMILESCOc1ccc2c(c1OC)C(=O)N(c1cccc(NC(C)=O)c1)C2
InChIInChI=1S/C18H18N2O4/c1-11(21)19-13-5-4-6-14(9-13)20-10-12-7-8-15(23-2)17(24-3)16(12)18(20)22/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyWIIBYWQYFLGQBT-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

2-[2-(4-Aminophenyl)ethyl]-4,5-bispentyloxy-2,3-dihydroisoindol-1-one
CID 19363234
6,7-dimethoxy-2-(4-methylphenyl)-3H-isoindol-1-one
CID 759234
6,7-Dimethoxy-2-(4-methoxyphenyl)isoindolin-1-one
CID 767108
2-(4-Hydroxyphenyl)-6,7-dimethoxyisoindolin-1-one
CID 777030
2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 2361470
2-(3,4-dimethylphenyl)-4,5-dimethoxy-1H-isoindole-1,3(2H)-dione
CID 903671
N-(3,4-dimethoxyphenyl)-3-oxo-2-propylisoindoline-4-carboxamide
CID 3236167
9,10-dimethoxy-5H-isoindolo[2,1-a][3,1]benzoxazin-11(6aH)-one
CID 3239210
9,10-Dimethoxy-6-phenyl-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
CID 659111
6,7-Dimethoxy-2-(3-methylphenyl)-2,3-dihydro-1h-isoindol-1-one
CID 752122
N-[3-(acetylamino)phenyl]-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
CID 3237553
3-(4-Amino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(3,4-dimethoxy-phenyl)-propionic acid methyl ester
CID 10452587

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide?
The IUPAC name of N-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide (CID 681912) is N-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide is COc1ccc2c(c1OC)C(=O)N(c1cccc(NC(C)=O)c1)C2.
What is the InChIKey of N-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide?
The InChIKey is WIIBYWQYFLGQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11(21)19-13-5-4-6-14(9-13)20-10-12-7-8-15(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-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide?
N-[3-(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-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide is sourced from PubChem (CID 681912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).