2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride

C24H28ClN3O5 — CID 24782980

IUPAC2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCOc1cccc(CN2C(=O)c3ccc(C(=O)NCCCN4CCOCC4)cc3C2=O)c1.Cl
InChIInChI=1S/C24H27N3O5.ClH/c1-31-19-5-2-4-17(14-19)16-27-23(29)20-7-6-18(15-21(20)24(27)30)22(28)25-8-3-9-26-10-12-32-13-11-26;/h2,4-7,14-15H,3,8-13,16H2,1H3,(H,25,28);1H
InChIKeyAXXGURZIXWGAOP-UHFFFAOYSA-N
MW473.96 g/mol
LogP2.37
Rot. Bonds8

About 2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride

2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride (PubChem CID 24782980) has the molecular formula C24H28ClN3O5 and a molecular weight of 473.96 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
PubChem CID24782980
Molecular FormulaC24H28ClN3O5
Molecular Weight473.96 g/mol
Exact Mass473.17
IUPAC Name2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCOc1cccc(CN2C(=O)c3ccc(C(=O)NCCCN4CCOCC4)cc3C2=O)c1.Cl
InChIInChI=1S/C24H27N3O5.ClH/c1-31-19-5-2-4-17(14-19)16-27-23(29)20-7-6-18(15-21(20)24(27)30)22(28)25-8-3-9-26-10-12-32-13-11-26;/h2,4-7,14-15H,3,8-13,16H2,1H3,(H,25,28);1H
InChIKeyAXXGURZIXWGAOP-UHFFFAOYSA-N
XLogP2.37
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 24785779
2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide
CID 69276968
2-[(3-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 24782975
2-[(3-fluorophenyl)methyl]-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide
CID 69277947
2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
CID 24786050
2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 69279118
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 42789760
4-methoxy-3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3924257
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
N-[2-(4-fluorophenyl)ethyl]-2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 25488068
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride (CID 24782980) is 2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride is COc1cccc(CN2C(=O)c3ccc(C(=O)NCCCN4CCOCC4)cc3C2=O)c1.Cl.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The InChIKey is AXXGURZIXWGAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5.ClH/c1-31-19-5-2-4-17(14-19)16-27-23(29)20-7-6-18(15-21(20)24(27)30)22(28)25-8-3-9-26-10-12-32-13-11-26;/h2,4-7,14-15H,3,8-13,16H2,1H3,(H,25,28);1H.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride has a molecular weight of 473.96 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 24782980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).