N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide

C19H18N2O3 — CID 960947

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O3/c1-19(2,3)18(24)20-12-7-6-8-13(11-12)21-16(22)14-9-4-5-10-15(14)17(21)23/h4-11H,1-3H3,(H,20,24)
InChIKeyFDRRYDZSBCNHED-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.47
Rot. Bonds2

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide (PubChem CID 960947) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
PubChem CID960947
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O3/c1-19(2,3)18(24)20-12-7-6-8-13(11-12)21-16(22)14-9-4-5-10-15(14)17(21)23/h4-11H,1-3H3,(H,20,24)
InChIKeyFDRRYDZSBCNHED-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.47
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-(1,3-dioxo-2-phenylisoindol-4-yl)-2,2-dimethylpropanamide
CID 960391
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 56507418
tert-butyl N-[(2R)-1-[3-(1,3-dioxoisoindol-2-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 56509967
N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide
CID 3513479
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56508672
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(trifluoromethylsulfanyl)benzamide
CID 56508199
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide
CID 56507324
2-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylpropanoic acid
CID 58721880
tert-butyl N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]carbamate
CID 113083018
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56507447

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide (CID 960947) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is FDRRYDZSBCNHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-19(2,3)18(24)20-12-7-6-8-13(11-12)21-16(22)14-9-4-5-10-15(14)17(21)23/h4-11H,1-3H3,(H,20,24).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 322.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 960947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).