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

C26H28N2O4 — CID 19182814

IUPACN-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cccc(C(C)C)c2)ccc1OCc1ccccc1
InChIInChI=1S/C26H28N2O4/c1-19(2)22-10-7-11-23(15-22)31-18-26(29)28-27-16-21-12-13-24(25(14-21)30-3)32-17-20-8-5-4-6-9-20/h4-16,19H,17-18H2,1-3H3,(H,28,29)/b27-16+
InChIKeyOLLVURAPOQGTRI-JVWAILMASA-N
MW432.52 g/mol
LogP4.93
Rot. Bonds10

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

N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 19182814) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID19182814
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2cccc(C(C)C)c2)ccc1OCc1ccccc1
InChIInChI=1S/C26H28N2O4/c1-19(2)22-10-7-11-23(15-22)31-18-26(29)28-27-16-21-12-13-24(25(14-21)30-3)32-17-20-8-5-4-6-9-20/h4-16,19H,17-18H2,1-3H3,(H,28,29)/b27-16+
InChIKeyOLLVURAPOQGTRI-JVWAILMASA-N
XLogP4.93
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.93
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-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide
CID 19182861
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6023296
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 19190427
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 6009481
[2-methoxy-4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4112044
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide
CID 5058487
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 5339776
2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126329068
N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 19182762
2-(3-chlorophenoxy)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 7039258
2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19169677

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide (CID 19182814) is N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide is COc1cc(/C=N/NC(=O)COc2cccc(C(C)C)c2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is OLLVURAPOQGTRI-JVWAILMASA-N. The full InChI is InChI=1S/C26H28N2O4/c1-19(2)22-10-7-11-23(15-22)31-18-26(29)28-27-16-21-12-13-24(25(14-21)30-3)32-17-20-8-5-4-6-9-20/h4-16,19H,17-18H2,1-3H3,(H,28,29)/b27-16+.
What are the key properties of N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide?
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 432.52 g/mol, XLogP of 4.93, 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-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19182814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).