N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C24H28N2O6 — CID 25392373

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C24H28N2O6/c1-3-30-21-14-19(26-9-11-29-12-10-26)22(31-4-2)13-18(21)25-23(27)15-20-16-7-5-6-8-17(16)24(28)32-20/h5-8,13-14,20H,3-4,9-12,15H2,1-2H3,(H,25,27)/t20-/m0/s1
InChIKeyARRTZMJVAPAKRJ-FQEVSTJZSA-N
MW440.50 g/mol
LogP3.56
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 25392373) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID25392373
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C24H28N2O6/c1-3-30-21-14-19(26-9-11-29-12-10-26)22(31-4-2)13-18(21)25-23(27)15-20-16-7-5-6-8-17(16)24(28)32-20/h5-8,13-14,20H,3-4,9-12,15H2,1-2H3,(H,25,27)/t20-/m0/s1
InChIKeyARRTZMJVAPAKRJ-FQEVSTJZSA-N
XLogP3.56
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.56
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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Related Compounds

N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 2999418
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
(2S)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 41056650
2-O-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506026
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3432332
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615520
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4968363

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 25392373) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[C@@H]1OC(=O)c2ccccc21.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is ARRTZMJVAPAKRJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-3-30-21-14-19(26-9-11-29-12-10-26)22(31-4-2)13-18(21)25-23(27)15-20-16-7-5-6-8-17(16)24(28)32-20/h5-8,13-14,20H,3-4,9-12,15H2,1-2H3,(H,25,27)/t20-/m0/s1.
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 440.50 g/mol, XLogP of 3.56, 8 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-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 25392373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).