N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H17N3O4 — CID 2905131

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-12(23)21(2)14-9-7-13(8-10-14)20-17(24)11-22-18(25)15-5-3-4-6-16(15)19(22)26/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyMUPYHMVATKTXSZ-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.90
Rot. Bonds4

About N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 2905131) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID2905131
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-12(23)21(2)14-9-7-13(8-10-14)20-17(24)11-22-18(25)15-5-3-4-6-16(15)19(22)26/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyMUPYHMVATKTXSZ-UHFFFAOYSA-N
XLogP1.90
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.90
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

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
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
N-[4-(dimethylamino)phenyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201938
2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide
CID 26776950
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3347715
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554687
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 2905131) is N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is CC(=O)N(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is MUPYHMVATKTXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12(23)21(2)14-9-7-13(8-10-14)20-17(24)11-22-18(25)15-5-3-4-6-16(15)19(22)26/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 351.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 2905131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).