N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

C24H20N2O3 — CID 8918958

IUPACN-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)c2ccccc2C1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N2O3/c1-25(22(17-10-4-2-5-11-17)18-12-6-3-7-13-18)21(27)16-26-23(28)19-14-8-9-15-20(19)24(26)29/h2-15,22H,16H2,1H3
InChIKeyZOFAIRRCIDMUMY-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.53
Rot. Bonds5

About N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (PubChem CID 8918958) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
PubChem CID8918958
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC NameN-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)c2ccccc2C1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N2O3/c1-25(22(17-10-4-2-5-11-17)18-12-6-3-7-13-18)21(27)16-26-23(28)19-14-8-9-15-20(19)24(26)29/h2-15,22H,16H2,1H3
InChIKeyZOFAIRRCIDMUMY-UHFFFAOYSA-N
XLogP3.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.53
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-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 51547425
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-phenylacetamide
CID 884073
2-[3-(dimethylamino)-2-oxobutyl]isoindole-1,3-dione;ethene
CID 21497616
N-benzhydryl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 42979649
N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 51629082
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 86924890
N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide
CID 2103734
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4820736
N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 43025130
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide
CID 113201346
N-benzhydryl-N-methyl-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 60617468
2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide
CID 55494313

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The IUPAC name of N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (CID 8918958) is N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The canonical SMILES for N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is CN(C(=O)CN1C(=O)c2ccccc2C1=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The InChIKey is ZOFAIRRCIDMUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-25(22(17-10-4-2-5-11-17)18-12-6-3-7-13-18)21(27)16-26-23(28)19-14-8-9-15-20(19)24(26)29/h2-15,22H,16H2,1H3.
What are the key properties of N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide has a molecular weight of 384.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is sourced from PubChem (CID 8918958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).