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

C18H16N2O5 — CID 764256

IUPACN-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccc(NC(C)=O)cc1)C2=O
InChIInChI=1S/C18H16N2O5/c1-10(21)19-11-4-6-12(7-5-11)20-17(22)13-8-9-14(24-2)16(25-3)15(13)18(20)23/h4-9H,1-3H3,(H,19,21)
InChIKeyDONXSOLZCPEMBZ-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.46
Rot. Bonds4

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

N-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide (PubChem CID 764256) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide
PubChem CID764256
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC NameN-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccc(NC(C)=O)cc1)C2=O
InChIInChI=1S/C18H16N2O5/c1-10(21)19-11-4-6-12(7-5-11)20-17(22)13-8-9-14(24-2)16(25-3)15(13)18(20)23/h4-9H,1-3H3,(H,19,21)
InChIKeyDONXSOLZCPEMBZ-UHFFFAOYSA-N
XLogP2.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-4,5-dimethoxyisoindole-1,3-dione
CID 748487
2-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxyisoindole-1,3-dione
CID 1307065
4,5-dimethoxy-2-(2-methylphenyl)isoindole-1,3-dione
CID 832150
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
CID 110352322
N-[4-[3-(2-methoxyphenyl)-2,5-dioxo-4-propan-2-ylsulfanylpyrrol-1-yl]phenyl]acetamide
CID 110567299
ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 24530050
N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 101405797
2-(1,3-dimethylpyrazol-4-yl)-4,5-dimethoxyisoindole-1,3-dione
CID 19589907
N-[4-[3-hydroxy-4-(4-methoxyphenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110580988
benzene;N-[4-(5-ethynyl-1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 159881016
N-(4-acetamidophenyl)-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 45370828
N-[4-[3-(2-methoxyphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110567287

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide (CID 764256) is N-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide is COc1ccc2c(c1OC)C(=O)N(c1ccc(NC(C)=O)cc1)C2=O.
What is the InChIKey of N-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide?
The InChIKey is DONXSOLZCPEMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-10(21)19-11-4-6-12(7-5-11)20-17(22)13-8-9-14(24-2)16(25-3)15(13)18(20)23/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide?
N-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide has a molecular weight of 340.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide is sourced from PubChem (CID 764256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).