N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C19H26N2O6 — CID 7409794

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1=COCCO1
InChIInChI=1S/C19H26N2O6/c1-3-25-16-12-15(21-5-7-23-8-6-21)17(26-4-2)11-14(16)20-19(22)18-13-24-9-10-27-18/h11-13H,3-10H2,1-2H3,(H,20,22)
InChIKeyPSMZMKRFRAVPNJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.15
Rot. Bonds7

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 7409794) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID7409794
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1=COCCO1
InChIInChI=1S/C19H26N2O6/c1-3-25-16-12-15(21-5-7-23-8-6-21)17(26-4-2)11-14(16)20-19(22)18-13-24-9-10-27-18/h11-13H,3-10H2,1-2H3,(H,20,22)
InChIKeyPSMZMKRFRAVPNJ-UHFFFAOYSA-N
XLogP2.15
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 7409794) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1=COCCO1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is PSMZMKRFRAVPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-3-25-16-12-15(21-5-7-23-8-6-21)17(26-4-2)11-14(16)20-19(22)18-13-24-9-10-27-18/h11-13H,3-10H2,1-2H3,(H,20,22).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 7409794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).