N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide

C22H28N2O — CID 133143871

IUPACN-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESC/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O/c1-15-7-8-19(16(2)13-15)14-21(25)24-23-17(3)18-9-11-20(12-10-18)22(4,5)6/h7-13H,14H2,1-6H3,(H,24,25)/b23-17+
InChIKeyHEDWYCRYUNNOTQ-HAVVHWLPSA-N
MW336.48 g/mol
LogP4.68
Rot. Bonds4

About N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 133143871) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID133143871
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESC/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O/c1-15-7-8-19(16(2)13-15)14-21(25)24-23-17(3)18-9-11-20(12-10-18)22(4,5)6/h7-13H,14H2,1-6H3,(H,24,25)/b23-17+
InChIKeyHEDWYCRYUNNOTQ-HAVVHWLPSA-N
XLogP4.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657750
2-(2,4-dimethylphenyl)-N-[(E)-1-(4-phenoxyphenyl)ethylideneamino]acetamide
CID 133170962
N-[(E)-1-(3,5-diethylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170971
N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170959
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]acetamide
CID 136727512
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 136727508
2-(2,4-dimethylphenyl)-N-[(Z)-1-(3,5-dimethyl-4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 92658035
N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 1154035
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 136727514
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758
2-(1,3-benzodioxol-5-yl)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]acetamide
CID 126150748
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 133143871) is N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide is C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is HEDWYCRYUNNOTQ-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H28N2O/c1-15-7-8-19(16(2)13-15)14-21(25)24-23-17(3)18-9-11-20(12-10-18)22(4,5)6/h7-13H,14H2,1-6H3,(H,24,25)/b23-17+.
What are the key properties of N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide?
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 336.48 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 133143871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).