2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide

C21H26N2O4 — CID 5450742

IUPAC2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N\NC(=O)COc2ccc(C(C)(C)C)cc2)c1OC
InChIInChI=1S/C21H26N2O4/c1-21(2,3)16-9-11-17(12-10-16)27-14-19(24)23-22-13-15-7-6-8-18(25-4)20(15)26-5/h6-13H,14H2,1-5H3,(H,23,24)/b22-13-
InChIKeyALXSHYSGJLBONN-XKZIYDEJSA-N
MW370.45 g/mol
LogP3.53
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide

2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 5450742) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID5450742
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N\NC(=O)COc2ccc(C(C)(C)C)cc2)c1OC
InChIInChI=1S/C21H26N2O4/c1-21(2,3)16-9-11-17(12-10-16)27-14-19(24)23-22-13-15-7-6-8-18(25-4)20(15)26-5/h6-13H,14H2,1-5H3,(H,23,24)/b22-13-
InChIKeyALXSHYSGJLBONN-XKZIYDEJSA-N
XLogP3.53
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.53
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

4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928
2-(4-tert-butylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898637
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 136820235
2-(4-tert-butylphenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 7750374
2-(4-tert-butylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 135643860
(2S)-2-[2-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]propanoic acid
CID 126236865
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 6862540
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135560371
[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 5410556
2-(4-tert-butylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 2305878

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide (CID 5450742) is 2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide is COc1cccc(/C=N\NC(=O)COc2ccc(C(C)(C)C)cc2)c1OC.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is ALXSHYSGJLBONN-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,3)16-9-11-17(12-10-16)27-14-19(24)23-22-13-15-7-6-8-18(25-4)20(15)26-5/h6-13H,14H2,1-5H3,(H,23,24)/b22-13-.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide?
2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5450742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).