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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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).