N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide

C22H24BrN3O5 — CID 126379700

IUPACN-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c1
InChIInChI=1S/C22H24BrN3O5/c1-29-18-4-2-3-16(11-18)13-21(27)25-24-14-17-5-6-20(19(23)12-17)31-15-22(28)26-7-9-30-10-8-26/h2-6,11-12,14H,7-10,13,15H2,1H3,(H,25,27)/b24-14+
InChIKeyFRUJTUMKAQUSCZ-ZVHZXABRSA-N
MW490.35 g/mol
LogP2.39
Rot. Bonds8

About N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide

N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide (PubChem CID 126379700) has the molecular formula C22H24BrN3O5 and a molecular weight of 490.35 g/mol. Its IUPAC name is N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide
PubChem CID126379700
Molecular FormulaC22H24BrN3O5
Molecular Weight490.35 g/mol
Exact Mass489.09
IUPAC NameN-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c1
InChIInChI=1S/C22H24BrN3O5/c1-29-18-4-2-3-16(11-18)13-21(27)25-24-14-17-5-6-20(19(23)12-17)31-15-22(28)26-7-9-30-10-8-26/h2-6,11-12,14H,7-10,13,15H2,1H3,(H,25,27)/b24-14+
InChIKeyFRUJTUMKAQUSCZ-ZVHZXABRSA-N
XLogP2.39
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]furan-2-carboxamide
CID 4315941
3-methoxy-N-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
CID 126023239
2-(4-methoxyphenyl)-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 126227474
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6058236
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126383669
5-bromo-N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 126380726
N-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3269861
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 126015984
2-(4-chlorophenoxy)-N-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 51641793
3,5-dibromo-2-hydroxy-N-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
CID 126019355
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 19182426
2-(4-tert-butylphenoxy)-N-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 42992097

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide (CID 126379700) is N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c1.
What is the InChIKey of N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide?
The InChIKey is FRUJTUMKAQUSCZ-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H24BrN3O5/c1-29-18-4-2-3-16(11-18)13-21(27)25-24-14-17-5-6-20(19(23)12-17)31-15-22(28)26-7-9-30-10-8-26/h2-6,11-12,14H,7-10,13,15H2,1H3,(H,25,27)/b24-14+.
What are the key properties of N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide?
N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide has a molecular weight of 490.35 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 126379700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).