N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide

C22H24N2O4 — CID 84572827

IUPACN-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H24N2O4/c1-22(2,24-20(26)17-11-7-8-12-18(17)21(24)27)15-28-14-19(25)23(3)13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3
InChIKeyDEAVITIKLPQRJT-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.74
Rot. Bonds7

About N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide

N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide (PubChem CID 84572827) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide
PubChem CID84572827
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H24N2O4/c1-22(2,24-20(26)17-11-7-8-12-18(17)21(24)27)15-28-14-19(25)23(3)13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3
InChIKeyDEAVITIKLPQRJT-UHFFFAOYSA-N
XLogP2.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide
CID 4937254
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
CID 57155799
[2-[benzyl(methyl)amino]-2-oxoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate
CID 2691627
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate
CID 55324923
N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572638
[2-(1,3-dioxoisoindol-2-yl)-2-methylpropyl] 4-phenylmethoxybenzoate
CID 10550523
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205359
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 84572829
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4820736
3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide (CID 84572827) is N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide is CN(Cc1ccccc1)C(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide?
The InChIKey is DEAVITIKLPQRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-22(2,24-20(26)17-11-7-8-12-18(17)21(24)27)15-28-14-19(25)23(3)13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3.
What are the key properties of N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide?
N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide has a molecular weight of 380.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide is sourced from PubChem (CID 84572827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).