N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

C22H24N2O3 — CID 55917587

IUPACN-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)c1cccc(C)c1C)C2=O
InChIInChI=1S/C22H24N2O3/c1-14-10-11-17-18(13-14)22(27)24(21(17)26)12-6-9-20(25)23(4)19-8-5-7-15(2)16(19)3/h5,7-8,10-11,13H,6,9,12H2,1-4H3
InChIKeyVGXNRQFUWUYSGM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.65
Rot. Bonds5

About N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 55917587) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
PubChem CID55917587
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)c1cccc(C)c1C)C2=O
InChIInChI=1S/C22H24N2O3/c1-14-10-11-17-18(13-14)22(27)24(21(17)26)12-6-9-20(25)23(4)19-8-5-7-15(2)16(19)3/h5,7-8,10-11,13H,6,9,12H2,1-4H3
InChIKeyVGXNRQFUWUYSGM-UHFFFAOYSA-N
XLogP3.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51192488
N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 32919258
N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30433880
(1,3-dioxoisoindol-2-yl)methyl 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
CID 46816811
N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide
CID 26722353
N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 33101149
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
N-[2-(dimethylamino)-2-phenylethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 51265030
N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 29371362
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide
CID 78803544
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
CID 35183247
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 34191636

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (CID 55917587) is N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)c1cccc(C)c1C)C2=O.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is VGXNRQFUWUYSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-10-11-17-18(13-14)22(27)24(21(17)26)12-6-9-20(25)23(4)19-8-5-7-15(2)16(19)3/h5,7-8,10-11,13H,6,9,12H2,1-4H3.
What are the key properties of N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 364.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 55917587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).