2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide

C18H16N2O4 — CID 8718997

IUPAC2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1
InChIInChI=1S/C18H16N2O4/c1-20-17(22)13-4-3-5-14(16(13)18(20)23)19-15(21)10-11-6-8-12(24-2)9-7-11/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyNJBYBNMFQANDNT-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.10
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide

2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide (PubChem CID 8718997) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide
PubChem CID8718997
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1
InChIInChI=1S/C18H16N2O4/c1-20-17(22)13-4-3-5-14(16(13)18(20)23)19-15(21)10-11-6-8-12(24-2)9-7-11/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyNJBYBNMFQANDNT-UHFFFAOYSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 71921771
N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
CID 3318461
N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 23354625
N-(2-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 890877
3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate
CID 4176095
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2,2-diphenylacetamide
CID 23937725
N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide
CID 47074120
N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide
CID 41274475
N-(2-methyl-1,3-dioxoisoindol-4-yl)pyridine-2-carboxamide
CID 110745316
N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide
CID 23854974

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide (CID 8718997) is 2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide is COc1ccc(CC(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide?
The InChIKey is NJBYBNMFQANDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-20-17(22)13-4-3-5-14(16(13)18(20)23)19-15(21)10-11-6-8-12(24-2)9-7-11/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide?
2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide is sourced from PubChem (CID 8718997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).