N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C18H16N2O3 — CID 710877

IUPACN-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O3/c1-11-6-5-7-12(2)16(11)19-15(21)10-20-17(22)13-8-3-4-9-14(13)18(20)23/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyMHIHNCDFQXOZNP-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.54
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 710877) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID710877
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O3/c1-11-6-5-7-12(2)16(11)19-15(21)10-20-17(22)13-8-3-4-9-14(13)18(20)23/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyMHIHNCDFQXOZNP-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetamide
CID 7535563
N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16520905
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 17129339
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
2-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 7442462
N-(2,3-dimethylphenyl)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetamide
CID 113202033
N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30433880
N-(2,6-dimethylphenyl)-2-(8-hydroxy-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)acetamide
CID 73257177
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
(2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide
CID 41165191

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 710877) is N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is MHIHNCDFQXOZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-6-5-7-12(2)16(11)19-15(21)10-20-17(22)13-8-3-4-9-14(13)18(20)23/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 710877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).