N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide

C24H26N4O8 — CID 55307956

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O
InChIInChI=1S/C24H26N4O8/c1-3-35-19-13-18(26-8-10-34-11-9-26)20(36-4-2)12-16(19)25-21(29)14-27-23(30)15-6-5-7-17(28(32)33)22(15)24(27)31/h5-7,12-13H,3-4,8-11,14H2,1-2H3,(H,25,29)
InChIKeyRGWLKIOSMMOYOR-UHFFFAOYSA-N
MW498.49 g/mol
LogP2.46
Rot. Bonds9

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 55307956) has the molecular formula C24H26N4O8 and a molecular weight of 498.49 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID55307956
Molecular FormulaC24H26N4O8
Molecular Weight498.49 g/mol
Exact Mass498.18
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O
InChIInChI=1S/C24H26N4O8/c1-3-35-19-13-18(26-8-10-34-11-9-26)20(36-4-2)12-16(19)25-21(29)14-27-23(30)15-6-5-7-17(28(32)33)22(15)24(27)31/h5-7,12-13H,3-4,8-11,14H2,1-2H3,(H,25,29)
InChIKeyRGWLKIOSMMOYOR-UHFFFAOYSA-N
XLogP2.46
TPSA140.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide (CID 55307956) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is RGWLKIOSMMOYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O8/c1-3-35-19-13-18(26-8-10-34-11-9-26)20(36-4-2)12-16(19)25-21(29)14-27-23(30)15-6-5-7-17(28(32)33)22(15)24(27)31/h5-7,12-13H,3-4,8-11,14H2,1-2H3,(H,25,29).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 498.49 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 55307956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).