N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide

C27H30N2O4 — CID 19182861

IUPACN-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cccc(C(C)C)c2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C27H30N2O4/c1-19(2)23-6-5-7-24(15-23)32-18-27(30)29-28-16-22-12-13-25(26(14-22)31-4)33-17-21-10-8-20(3)9-11-21/h5-16,19H,17-18H2,1-4H3,(H,29,30)/b28-16+
InChIKeyXUIOHHMEXQLDPI-LQKURTRISA-N
MW446.55 g/mol
LogP5.24
Rot. Bonds10

About N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide

N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 19182861) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID19182861
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cccc(C(C)C)c2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C27H30N2O4/c1-19(2)23-6-5-7-24(15-23)32-18-27(30)29-28-16-22-12-13-25(26(14-22)31-4)33-17-21-10-8-20(3)9-11-21/h5-16,19H,17-18H2,1-4H3,(H,29,30)/b28-16+
InChIKeyXUIOHHMEXQLDPI-LQKURTRISA-N
XLogP5.24
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide
CID 19182814
2-(2-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190146
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 6009481
[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 5426310
2-(4-bromo-2-ethylphenoxy)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19208369
2-(4-bromophenyl)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19061546
2-(4-fluorophenyl)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126229463
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 19165820
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6023296
N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 19190427
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 6876830

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide (CID 19182861) is N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide is COc1cc(/C=N/NC(=O)COc2cccc(C(C)C)c2)ccc1OCc1ccc(C)cc1.
What is the InChIKey of N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is XUIOHHMEXQLDPI-LQKURTRISA-N. The full InChI is InChI=1S/C27H30N2O4/c1-19(2)23-6-5-7-24(15-23)32-18-27(30)29-28-16-22-12-13-25(26(14-22)31-4)33-17-21-10-8-20(3)9-11-21/h5-16,19H,17-18H2,1-4H3,(H,29,30)/b28-16+.
What are the key properties of N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide?
N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 446.55 g/mol, XLogP of 5.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19182861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).