2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

C23H26N2O2 — CID 24623458

IUPAC2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCN(CN1C(=O)C2CCCCC2C1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O2/c1-24(16-25-22(26)19-14-8-9-15-20(19)23(25)27)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19-21H,8-9,14-16H2,1H3
InChIKeyYBJOEDSXNNYEOC-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.84
Rot. Bonds5

About 2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 24623458) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID24623458
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCN(CN1C(=O)C2CCCCC2C1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O2/c1-24(16-25-22(26)19-14-8-9-15-20(19)23(25)27)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19-21H,8-9,14-16H2,1H3
InChIKeyYBJOEDSXNNYEOC-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione with MolForge

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Related Compounds

(3aR,7aR)-2-[[benzhydryl(methyl)amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124838444
3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18149953
3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 42937052
(5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 124838172
3-[[benzhydryl(methyl)amino]methyl]-5-(3-bromo-4-fluorophenyl)imidazolidine-2,4-dione
CID 42956347
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 11934827
3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26005418
(3aS,7aS)-2-[[(3-chlorophenyl)methyl-methylamino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11906580
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-phenylpropanoic acid
CID 22022330
2-[(2-hydroxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 114332817
2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933
(3aS,7aS)-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11918745

Frequently Asked Questions

What is the IUPAC name of 2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of 2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 24623458) is 2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for 2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for 2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is CN(CN1C(=O)C2CCCCC2C1=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is YBJOEDSXNNYEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-24(16-25-22(26)19-14-8-9-15-20(19)23(25)27)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19-21H,8-9,14-16H2,1H3.
What are the key properties of 2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has a molecular weight of 362.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 24623458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).