2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione

C21H24N2O4 — CID 42944047

IUPAC2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione
SMILESCOc1ccc(C)cc1CN(C)CC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H24N2O4/c1-14-8-9-19(27-3)15(10-14)11-22(2)12-16(24)13-23-20(25)17-6-4-5-7-18(17)21(23)26/h4-10,16,24H,11-13H2,1-3H3
InChIKeyCETPYVIIBOMENH-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.09
Rot. Bonds7

About 2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione

2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione (PubChem CID 42944047) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione
PubChem CID42944047
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione
SMILESCOc1ccc(C)cc1CN(C)CC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H24N2O4/c1-14-8-9-19(27-3)15(10-14)11-22(2)12-16(24)13-23-20(25)17-6-4-5-7-18(17)21(23)26/h4-10,16,24H,11-13H2,1-3H3
InChIKeyCETPYVIIBOMENH-UHFFFAOYSA-N
XLogP2.09
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione with MolForge

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Related Compounds

4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol
CID 117039190
2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]isoindole-1,3-dione
CID 9234059
2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione
CID 19422450
2-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 71494022
2-[(2S)-2-hydroxy-3-(4-methylphenyl)propyl]isoindole-1,3-dione
CID 167611786
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropanethioamide
CID 62161799
1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 78820773
(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 41324163
1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
CID 65449633
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
2-(2-hydroxybutyl)-5-methylisoindole-1,3-dione
CID 113492803
2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione
CID 176956532

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione (CID 42944047) is 2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione is COc1ccc(C)cc1CN(C)CC(O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione?
The InChIKey is CETPYVIIBOMENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-8-9-19(27-3)15(10-14)11-22(2)12-16(24)13-23-20(25)17-6-4-5-7-18(17)21(23)26/h4-10,16,24H,11-13H2,1-3H3.
What are the key properties of 2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione?
2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione has a molecular weight of 368.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione is sourced from PubChem (CID 42944047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).