2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

C22H28N2O5 — CID 19190208

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O5/c1-14(2)18-8-7-17(9-15(18)3)29-13-21(25)24-23-12-16-10-19(26-4)22(28-6)20(11-16)27-5/h7-12,14H,13H2,1-6H3,(H,24,25)/b23-12+
InChIKeyZNHYOORSHUCWCH-FSJBWODESA-N
MW400.48 g/mol
LogP3.67
Rot. Bonds9

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 19190208) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID19190208
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O5/c1-14(2)18-8-7-17(9-15(18)3)29-13-21(25)24-23-12-16-10-19(26-4)22(28-6)20(11-16)27-5/h7-12,14H,13H2,1-6H3,(H,24,25)/b23-12+
InChIKeyZNHYOORSHUCWCH-FSJBWODESA-N
XLogP3.67
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.67
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

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19189755
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19190055
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19189761
N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316108
2-(4-chlorophenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898643
2-(4-tert-butylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898637
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 19207996
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5393475
[2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate
CID 24561033
N-[(Z)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315897
2-(2-bromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3995344

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (CID 19190208) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)cc(OC)c1OC.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is ZNHYOORSHUCWCH-FSJBWODESA-N. The full InChI is InChI=1S/C22H28N2O5/c1-14(2)18-8-7-17(9-15(18)3)29-13-21(25)24-23-12-16-10-19(26-4)22(28-6)20(11-16)27-5/h7-12,14H,13H2,1-6H3,(H,24,25)/b23-12+.
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19190208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).