ethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one

C20H34N2O2 — CID 145338727

IUPACethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one
SMILESCC.CC.Cc1ccc2c(c1)CN(CC(C)N1CCOCC1)C2=O
InChIInChI=1S/C16H22N2O2.2C2H6/c1-12-3-4-15-14(9-12)11-18(16(15)19)10-13(2)17-5-7-20-8-6-17;2*1-2/h3-4,9,13H,5-8,10-11H2,1-2H3;2*1-2H3
InChIKeyBZBQDBKSPSKANZ-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.72
Rot. Bonds3

About ethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one

ethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one (PubChem CID 145338727) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is ethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one.

Molecular Properties

Compound Nameethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one
PubChem CID145338727
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Nameethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one
SMILESCC.CC.Cc1ccc2c(c1)CN(CC(C)N1CCOCC1)C2=O
InChIInChI=1S/C16H22N2O2.2C2H6/c1-12-3-4-15-14(9-12)11-18(16(15)19)10-13(2)17-5-7-20-8-6-17;2*1-2/h3-4,9,13H,5-8,10-11H2,1-2H3;2*1-2H3
InChIKeyBZBQDBKSPSKANZ-UHFFFAOYSA-N
XLogP3.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-diethoxyethyl)-5-methyl-3H-isoindol-1-one
CID 156766348
2-(2-hydroxy-2-phenylethyl)-5-methyl-3H-isoindol-1-one
CID 90873430
ethane;5-methyl-2-(oxan-4-yl)-3H-isoindol-1-one
CID 145338817
5-methyl-2-(oxan-4-yl)-3H-isoindol-1-one
CID 145338818
2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene
CID 144549653
ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine
CID 143833538
5-methyl-2-(2-morpholin-4-ylpropyl)benzenethiol
CID 175441956
N-[6-morpholin-4-yl-2-(2-morpholin-4-ylpropyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354409
5-methyl-2-morpholin-4-ylisoindole-1,3-dione
CID 70638046
4-[1-(2-methoxy-5-methylphenyl)propan-2-yl]morpholine;hydrochloride
CID 3063666
2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064565
4-[(2R)-1-morpholin-4-ylpropan-2-yl]morpholine
CID 28775628

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one?
The IUPAC name of ethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one (CID 145338727) is ethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one.
What is the SMILES notation for ethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one?
The canonical SMILES for ethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one is CC.CC.Cc1ccc2c(c1)CN(CC(C)N1CCOCC1)C2=O.
What is the InChIKey of ethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one?
The InChIKey is BZBQDBKSPSKANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.2C2H6/c1-12-3-4-15-14(9-12)11-18(16(15)19)10-13(2)17-5-7-20-8-6-17;2*1-2/h3-4,9,13H,5-8,10-11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one?
ethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one has a molecular weight of 334.50 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-(2-morpholin-4-ylpropyl)-3H-isoindol-1-one is sourced from PubChem (CID 145338727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).