N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide

C20H20N2O3 — CID 168516325

IUPACN-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide
SMILESCc1c(NC(=O)CC(C)C)cccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O3/c1-12(2)11-18(23)21-16-9-6-10-17(13(16)3)22-19(24)14-7-4-5-8-15(14)20(22)25/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyVFSKAKNIEYBWMK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.78
Rot. Bonds4

About N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide

N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide (PubChem CID 168516325) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide
PubChem CID168516325
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide
SMILESCc1c(NC(=O)CC(C)C)cccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O3/c1-12(2)11-18(23)21-16-9-6-10-17(13(16)3)22-19(24)14-7-4-5-8-15(14)20(22)25/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyVFSKAKNIEYBWMK-UHFFFAOYSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.78
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-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-3-methylbutanamide
CID 3872761
N-(3-acetamido-2-methylphenyl)-3-methylbutanamide
CID 39975961
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168516704
methyl 2-methyl-3-(3-methylbutanoylamino)benzoate
CID 17297258
2-cyano-N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide
CID 168522994
N-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-methylbutanamide
CID 19629547
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 5134216
N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide
CID 131928295
3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866205
N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831753
N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide
CID 168516887
N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide
CID 4559680

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide (CID 168516325) is N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide is Cc1c(NC(=O)CC(C)C)cccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide?
The InChIKey is VFSKAKNIEYBWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12(2)11-18(23)21-16-9-6-10-17(13(16)3)22-19(24)14-7-4-5-8-15(14)20(22)25/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide?
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide has a molecular weight of 336.39 g/mol, XLogP of 3.78, 4 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)-2-methylphenyl]-3-methylbutanamide is sourced from PubChem (CID 168516325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).