2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide

C28H31N3O4 — CID 95568228

IUPAC2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC/C(=N\OCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C28H31N3O4/c1-21-5-3-4-6-24(21)19-34-27-13-7-23(8-14-27)22(2)30-35-20-28(32)29-25-9-11-26(12-10-25)31-15-17-33-18-16-31/h3-14H,15-20H2,1-2H3,(H,29,32)/b30-22+
InChIKeyWWPNLUNUEXGBJD-JBASAIQMSA-N
MW473.57 g/mol
LogP4.79
Rot. Bonds9

About 2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide

2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 95568228) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID95568228
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC/C(=N\OCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C28H31N3O4/c1-21-5-3-4-6-24(21)19-34-27-13-7-23(8-14-27)22(2)30-35-20-28(32)29-25-9-11-26(12-10-25)31-15-17-33-18-16-31/h3-14H,15-20H2,1-2H3,(H,29,32)/b30-22+
InChIKeyWWPNLUNUEXGBJD-JBASAIQMSA-N
XLogP4.79
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2458170
N-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 7642527
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide
CID 987715
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide
CID 25238319
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 16552244
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952
N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19660675

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide (CID 95568228) is 2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide is C/C(=N\OCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccccc2C)cc1.
What is the InChIKey of 2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is WWPNLUNUEXGBJD-JBASAIQMSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-21-5-3-4-6-24(21)19-34-27-13-7-23(8-14-27)22(2)30-35-20-28(32)29-25-9-11-26(12-10-25)31-15-17-33-18-16-31/h3-14H,15-20H2,1-2H3,(H,29,32)/b30-22+.
What are the key properties of 2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 473.57 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 95568228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).