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

C18H16N2O5 — CID 57300621

IUPAC2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(OC)(C(N)=O)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O5/c1-24-12-9-7-11(8-10-12)18(25-2,17(19)23)20-15(21)13-5-3-4-6-14(13)16(20)22/h3-10H,1-2H3,(H2,19,23)
InChIKeySKKJRXCQXQIPNP-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.28
Rot. Bonds5

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

2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide (PubChem CID 57300621) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide
PubChem CID57300621
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(OC)(C(N)=O)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O5/c1-24-12-9-7-11(8-10-12)18(25-2,17(19)23)20-15(21)13-5-3-4-6-14(13)16(20)22/h3-10H,1-2H3,(H2,19,23)
InChIKeySKKJRXCQXQIPNP-UHFFFAOYSA-N
XLogP1.28
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.28
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

(2S)-2-(1,3-dioxoisoindol-2-yl)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 66624353
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
2-[bis(4-methoxyphenyl)-phenylmethoxy]isoindole-1,3-dione
CID 134565945
2-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylacetamide
CID 121405860
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
CID 1048581
2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 54892605
2-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]isoindole-1,3-dione;ethane
CID 144822259
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid
CID 22575053
1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one
CID 101453821

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide (CID 57300621) is 2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide is COc1ccc(C(OC)(C(N)=O)N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide?
The InChIKey is SKKJRXCQXQIPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-24-12-9-7-11(8-10-12)18(25-2,17(19)23)20-15(21)13-5-3-4-6-14(13)16(20)22/h3-10H,1-2H3,(H2,19,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide has a molecular weight of 340.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 57300621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).