N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide

C21H26N2O3 — CID 99944801

IUPACN-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)c(OCC)c1
InChIInChI=1S/C21H26N2O3/c1-5-25-19-10-9-18(20(13-19)26-6-2)14-22-23-21(24)12-17-8-7-15(3)11-16(17)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,23,24)/b22-14+
InChIKeyDRXYSHASLOZEBV-HYARGMPZSA-N
MW354.45 g/mol
LogP3.79
Rot. Bonds8

About N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 99944801) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID99944801
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)c(OCC)c1
InChIInChI=1S/C21H26N2O3/c1-5-25-19-10-9-18(20(13-19)26-6-2)14-22-23-21(24)12-17-8-7-15(3)11-16(17)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,23,24)/b22-14+
InChIKeyDRXYSHASLOZEBV-HYARGMPZSA-N
XLogP3.79
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944791
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143803
N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8899153
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126060130
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 19060943
2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 92657814
2-(2,4-dimethylphenyl)-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133144043
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 136727503
2-(2,4-dimethylphenyl)-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133143940
N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 8899053
N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657822

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 99944801) is N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide is CCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)c(OCC)c1.
What is the InChIKey of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is DRXYSHASLOZEBV-HYARGMPZSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-25-19-10-9-18(20(13-19)26-6-2)14-22-23-21(24)12-17-8-7-15(3)11-16(17)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,23,24)/b22-14+.
What are the key properties of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 99944801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).