2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide

C23H25N3O5 — CID 84558804

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(C(O)CCN2CCOCC2)cc1
InChIInChI=1S/C23H25N3O5/c27-20(9-10-25-11-13-31-14-12-25)16-5-7-17(8-6-16)24-21(28)15-26-22(29)18-3-1-2-4-19(18)23(26)30/h1-8,20,27H,9-15H2,(H,24,28)
InChIKeyRQXZUAFIDTWKOS-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.68
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide (PubChem CID 84558804) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
PubChem CID84558804
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(C(O)CCN2CCOCC2)cc1
InChIInChI=1S/C23H25N3O5/c27-20(9-10-25-11-13-31-14-12-25)16-5-7-17(8-6-16)24-21(28)15-26-22(29)18-3-1-2-4-19(18)23(26)30/h1-8,20,27H,9-15H2,(H,24,28)
InChIKeyRQXZUAFIDTWKOS-UHFFFAOYSA-N
XLogP1.68
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-ol
CID 3039644
2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
CID 84559932
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010
N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]oxolane-2-carboxamide
CID 84560052
5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide
CID 84559000
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099
N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]-4-(trifluoromethyl)benzamide
CID 84558640
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide
CID 108754514
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide (CID 84558804) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(C(O)CCN2CCOCC2)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide?
The InChIKey is RQXZUAFIDTWKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c27-20(9-10-25-11-13-31-14-12-25)16-5-7-17(8-6-16)24-21(28)15-26-22(29)18-3-1-2-4-19(18)23(26)30/h1-8,20,27H,9-15H2,(H,24,28).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide has a molecular weight of 423.47 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide is sourced from PubChem (CID 84558804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).