N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C19H21BrN2O2 — CID 6898844

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(Br)cc2)c1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)17-9-4-14(3)10-18(17)24-12-19(23)22-21-11-15-5-7-16(20)8-6-15/h4-11,13H,12H2,1-3H3,(H,22,23)/b21-11+
InChIKeyIXZHJRWSPDSPHR-SRZZPIQSSA-N
MW389.29 g/mol
LogP4.41
Rot. Bonds6

About N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 6898844) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID6898844
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(Br)cc2)c1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)17-9-4-14(3)10-18(17)24-12-19(23)22-21-11-15-5-7-16(20)8-6-15/h4-11,13H,12H2,1-3H3,(H,22,23)/b21-11+
InChIKeyIXZHJRWSPDSPHR-SRZZPIQSSA-N
XLogP4.41
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.41
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-[(4-ethylphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5189524
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5410642
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6869999
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7728221
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898722
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5446423
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 3529778
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6142910
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135825097
N-[(E)-3-methylbutylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19166730
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6219369
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 4853606

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 6898844) is N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(Br)cc2)c1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is IXZHJRWSPDSPHR-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13(2)17-9-4-14(3)10-18(17)24-12-19(23)22-21-11-15-5-7-16(20)8-6-15/h4-11,13H,12H2,1-3H3,(H,22,23)/b21-11+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 389.29 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 6898844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).