N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide

C27H27N3O5 — CID 126027835

IUPACN-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H27N3O5/c31-26(19-34-25-12-8-23(9-13-25)22-4-2-1-3-5-22)29-28-18-21-6-10-24(11-7-21)35-20-27(32)30-14-16-33-17-15-30/h1-13,18H,14-17,19-20H2,(H,29,31)/b28-18+
InChIKeyZOTCCBCNLNIWIL-MTDXEUNCSA-N
MW473.53 g/mol
LogP3.12
Rot. Bonds9

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

N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide (PubChem CID 126027835) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
PubChem CID126027835
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC NameN-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H27N3O5/c31-26(19-34-25-12-8-23(9-13-25)22-4-2-1-3-5-22)29-28-18-21-6-10-24(11-7-21)35-20-27(32)30-14-16-33-17-15-30/h1-13,18H,14-17,19-20H2,(H,29,31)/b28-18+
InChIKeyZOTCCBCNLNIWIL-MTDXEUNCSA-N
XLogP3.12
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.12
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

1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
2-(4-methoxyphenyl)-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 126227474
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6266560
N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 126027677
(2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 1104562
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
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
2-(4-tert-butylphenoxy)-N-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 42992097
2-[(3-bromophenyl)methylsulfanyl]-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 73406075
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135852679
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide (CID 126027835) is N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide is O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide?
The InChIKey is ZOTCCBCNLNIWIL-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H27N3O5/c31-26(19-34-25-12-8-23(9-13-25)22-4-2-1-3-5-22)29-28-18-21-6-10-24(11-7-21)35-20-27(32)30-14-16-33-17-15-30/h1-13,18H,14-17,19-20H2,(H,29,31)/b28-18+.
What are the key properties of N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide?
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide has a molecular weight of 473.53 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 126027835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).