N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide

C22H28N2O3 — CID 126367979

IUPACN-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)cc2OC(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-15(2)26-20-11-10-19(21(13-20)27-16(3)4)14-23-24-22(25)12-18-8-6-17(5)7-9-18/h6-11,13-16H,12H2,1-5H3,(H,24,25)/b23-14+
InChIKeyLBKVEIQZSXEZRJ-OEAKJJBVSA-N
MW368.48 g/mol
LogP4.26
Rot. Bonds8

About N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide

N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide (PubChem CID 126367979) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
PubChem CID126367979
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)cc2OC(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-15(2)26-20-11-10-19(21(13-20)27-16(3)4)14-23-24-22(25)12-18-8-6-17(5)7-9-18/h6-11,13-16H,12H2,1-5H3,(H,24,25)/b23-14+
InChIKeyLBKVEIQZSXEZRJ-OEAKJJBVSA-N
XLogP4.26
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.26
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-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126266627
2-(4-methylphenyl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
CID 126370475
2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515550
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 871407
2-(2,4-dimethylphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657846
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944791
N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515446
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 135627903
N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657844
2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide
CID 6413143
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944801
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 5420756

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide (CID 126367979) is N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)cc2OC(C)C)cc1.
What is the InChIKey of N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide?
The InChIKey is LBKVEIQZSXEZRJ-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)26-20-11-10-19(21(13-20)27-16(3)4)14-23-24-22(25)12-18-8-6-17(5)7-9-18/h6-11,13-16H,12H2,1-5H3,(H,24,25)/b23-14+.
What are the key properties of N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide?
N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 4.26, 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-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 126367979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).