N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide

C22H27N3O7 — CID 4056441

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C22H27N3O7/c1-3-30-20-14-18(24-9-11-29-12-10-24)21(31-4-2)13-16(20)23-22(26)15-32-19-8-6-5-7-17(19)25(27)28/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,23,26)
InChIKeyVHAMNSPFYGVWQT-UHFFFAOYSA-N
MW445.47 g/mol
LogP3.25
Rot. Bonds10

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 4056441) has the molecular formula C22H27N3O7 and a molecular weight of 445.47 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID4056441
Molecular FormulaC22H27N3O7
Molecular Weight445.47 g/mol
Exact Mass445.18
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C22H27N3O7/c1-3-30-20-14-18(24-9-11-29-12-10-24)21(31-4-2)13-16(20)23-22(26)15-32-19-8-6-5-7-17(19)25(27)28/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,23,26)
InChIKeyVHAMNSPFYGVWQT-UHFFFAOYSA-N
XLogP3.25
TPSA112.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide (CID 4056441) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is VHAMNSPFYGVWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O7/c1-3-30-20-14-18(24-9-11-29-12-10-24)21(31-4-2)13-16(20)23-22(26)15-32-19-8-6-5-7-17(19)25(27)28/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,23,26).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 445.47 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 4056441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).