N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide

C25H24N2O4 — CID 136718830

IUPACN-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESC=CCc1cccc(/C=N\NC(=O)COc2ccc(OCc3ccccc3)cc2)c1O
InChIInChI=1S/C25H24N2O4/c1-2-7-20-10-6-11-21(25(20)29)16-26-27-24(28)18-31-23-14-12-22(13-15-23)30-17-19-8-4-3-5-9-19/h2-6,8-16,29H,1,7,17-18H2,(H,27,28)/b26-16-
InChIKeyZHMXZAWARKNLOA-QQXSKIMKSA-N
MW416.48 g/mol
LogP4.23
Rot. Bonds10

About N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide

N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 136718830) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID136718830
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESC=CCc1cccc(/C=N\NC(=O)COc2ccc(OCc3ccccc3)cc2)c1O
InChIInChI=1S/C25H24N2O4/c1-2-7-20-10-6-11-21(25(20)29)16-26-27-24(28)18-31-23-14-12-22(13-15-23)30-17-19-8-4-3-5-9-19/h2-6,8-16,29H,1,7,17-18H2,(H,27,28)/b26-16-
InChIKeyZHMXZAWARKNLOA-QQXSKIMKSA-N
XLogP4.23
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenoxy)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135698892
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 136794162
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 135679375
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3557372
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 135683134
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 3601208
2-naphthalen-2-yloxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6041934
4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136822713
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5131254

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide (CID 136718830) is N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide is C=CCc1cccc(/C=N\NC(=O)COc2ccc(OCc3ccccc3)cc2)c1O.
What is the InChIKey of N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is ZHMXZAWARKNLOA-QQXSKIMKSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-2-7-20-10-6-11-21(25(20)29)16-26-27-24(28)18-31-23-14-12-22(13-15-23)30-17-19-8-4-3-5-9-19/h2-6,8-16,29H,1,7,17-18H2,(H,27,28)/b26-16-.
What are the key properties of N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide?
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 416.48 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 136718830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).