N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide

C25H27N3O5 — CID 55331500

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc(NC(=O)CN(CC2CCCO2)C(=O)CN2C(=O)c3ccccc3C2=O)c1C
InChIInChI=1S/C25H27N3O5/c1-16-7-5-11-21(17(16)2)26-22(29)14-27(13-18-8-6-12-33-18)23(30)15-28-24(31)19-9-3-4-10-20(19)25(28)32/h3-5,7,9-11,18H,6,8,12-15H2,1-2H3,(H,26,29)
InChIKeyLSWZXSNPENQMOZ-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.55
Rot. Bonds7

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 55331500) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID55331500
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc(NC(=O)CN(CC2CCCO2)C(=O)CN2C(=O)c3ccccc3C2=O)c1C
InChIInChI=1S/C25H27N3O5/c1-16-7-5-11-21(17(16)2)26-22(29)14-27(13-18-8-6-12-33-18)23(30)15-28-24(31)19-9-3-4-10-20(19)25(28)32/h3-5,7,9-11,18H,6,8,12-15H2,1-2H3,(H,26,29)
InChIKeyLSWZXSNPENQMOZ-UHFFFAOYSA-N
XLogP2.55
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55369492
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55331805
N-(2,3-dimethylphenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 41306981
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8503623
1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55358498
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8504343
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 55388125
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 8012550
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 86911150
[2-(2,3-dimethylanilino)-2-oxoethyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate
CID 46793156
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 8001195
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 8002175

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 55331500) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1cccc(NC(=O)CN(CC2CCCO2)C(=O)CN2C(=O)c3ccccc3C2=O)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is LSWZXSNPENQMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-16-7-5-11-21(17(16)2)26-22(29)14-27(13-18-8-6-12-33-18)23(30)15-28-24(31)19-9-3-4-10-20(19)25(28)32/h3-5,7,9-11,18H,6,8,12-15H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 449.51 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 55331500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).