N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide

C19H21BrN2O3 — CID 19165696

IUPACN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1Br
InChIInChI=1S/C19H21BrN2O3/c1-13(2)15-5-7-16(8-6-15)25-12-19(23)22-21-11-14-4-9-18(24-3)17(20)10-14/h4-11,13H,12H2,1-3H3,(H,22,23)/b21-11+
InChIKeyOYQXVDZKUUGTJH-SRZZPIQSSA-N
MW405.29 g/mol
LogP4.11
Rot. Bonds7

About N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide

N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 19165696) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID19165696
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1Br
InChIInChI=1S/C19H21BrN2O3/c1-13(2)15-5-7-16(8-6-15)25-12-19(23)22-21-11-14-4-9-18(24-3)17(20)10-14/h4-11,13H,12H2,1-3H3,(H,22,23)/b21-11+
InChIKeyOYQXVDZKUUGTJH-SRZZPIQSSA-N
XLogP4.11
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.11
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)-(3-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 5420715
[2-methoxy-4-[(Z)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6061823
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 3323010
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4041679
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 54784583
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 19182426
2-(2-bromo-4-tert-butylphenoxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 4922177
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588917
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5404952
4-[(E)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190230

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide (CID 19165696) is N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide is COc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1Br.
What is the InChIKey of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is OYQXVDZKUUGTJH-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-13(2)15-5-7-16(8-6-15)25-12-19(23)22-21-11-14-4-9-18(24-3)17(20)10-14/h4-11,13H,12H2,1-3H3,(H,22,23)/b21-11+.
What are the key properties of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 405.29 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19165696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).