N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide

C20H23BrN2O2 — CID 92657844

IUPACN-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C\c2cc(Br)ccc2OC(C)C)c(C)c1
InChIInChI=1S/C20H23BrN2O2/c1-13(2)25-19-8-7-18(21)10-17(19)12-22-23-20(24)11-16-6-5-14(3)9-15(16)4/h5-10,12-13H,11H2,1-4H3,(H,23,24)/b22-12-
InChIKeyVUHBLAXUTUAUKM-UUYOSTAYSA-N
MW403.32 g/mol
LogP4.55
Rot. Bonds6

About N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 92657844) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID92657844
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC NameN-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C\c2cc(Br)ccc2OC(C)C)c(C)c1
InChIInChI=1S/C20H23BrN2O2/c1-13(2)25-19-8-7-18(21)10-17(19)12-22-23-20(24)11-16-6-5-14(3)9-15(16)4/h5-10,12-13H,11H2,1-4H3,(H,23,24)/b22-12-
InChIKeyVUHBLAXUTUAUKM-UUYOSTAYSA-N
XLogP4.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143803
1-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-3-[(E)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]urea
CID 6875439
2-(2,4-dimethylphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657846
N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657822
N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143947
2-(2,4-dimethylphenyl)-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657857
N'-[(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 4665681
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 3788031
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 136727503
2-(2,4-dimethylphenyl)-N-[(E)-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 133144025
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944791
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133145339

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 92657844) is N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C\c2cc(Br)ccc2OC(C)C)c(C)c1.
What is the InChIKey of N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is VUHBLAXUTUAUKM-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-13(2)25-19-8-7-18(21)10-17(19)12-22-23-20(24)11-16-6-5-14(3)9-15(16)4/h5-10,12-13H,11H2,1-4H3,(H,23,24)/b22-12-.
What are the key properties of N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 403.32 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 92657844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).