2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide

C28H32N2O4 — CID 19169677

IUPAC2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2C(C)(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C28H32N2O4/c1-20-11-13-24(23(15-20)28(2,3)4)34-19-27(31)30-29-17-22-12-14-25(26(16-22)32-5)33-18-21-9-7-6-8-10-21/h6-17H,18-19H2,1-5H3,(H,30,31)/b29-17+
InChIKeyPMYFMBGAHAEVPX-STBIYBPSSA-N
MW460.57 g/mol
LogP5.41
Rot. Bonds9

About 2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide

2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 19169677) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID19169677
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2C(C)(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C28H32N2O4/c1-20-11-13-24(23(15-20)28(2,3)4)34-19-27(31)30-29-17-22-12-14-25(26(16-22)32-5)33-18-21-9-7-6-8-10-21/h6-17H,18-19H2,1-5H3,(H,30,31)/b29-17+
InChIKeyPMYFMBGAHAEVPX-STBIYBPSSA-N
XLogP5.41
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.41
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

2-(2-tert-butylphenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19169726
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
2-(2-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190146
2-(2,4-dimethylphenoxy)-N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]acetamide
CID 19190457
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19207863
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6023296
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 5339776
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 6876830
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561
2-(2,6-dimethylanilino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3726528
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3499403

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide (CID 19169677) is 2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide is COc1cc(/C=N/NC(=O)COc2ccc(C)cc2C(C)(C)C)ccc1OCc1ccccc1.
What is the InChIKey of 2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is PMYFMBGAHAEVPX-STBIYBPSSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-20-11-13-24(23(15-20)28(2,3)4)34-19-27(31)30-29-17-22-12-14-25(26(16-22)32-5)33-18-21-9-7-6-8-10-21/h6-17H,18-19H2,1-5H3,(H,30,31)/b29-17+.
What are the key properties of 2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 460.57 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19169677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).