N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide

C20H23BrN2O3 — CID 19165700

IUPACN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccccc2C(C)(C)C)cc1Br
InChIInChI=1S/C20H23BrN2O3/c1-20(2,3)15-7-5-6-8-17(15)26-13-19(24)23-22-12-14-9-10-18(25-4)16(21)11-14/h5-12H,13H2,1-4H3,(H,23,24)/b22-12+
InChIKeyVIWSIEVFBRURQU-WSDLNYQXSA-N
MW419.32 g/mol
LogP4.28
Rot. Bonds6

About N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide

N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide (PubChem CID 19165700) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
PubChem CID19165700
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC NameN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccccc2C(C)(C)C)cc1Br
InChIInChI=1S/C20H23BrN2O3/c1-20(2,3)15-7-5-6-8-17(15)26-13-19(24)23-22-12-14-9-10-18(25-4)16(21)11-14/h5-12H,13H2,1-4H3,(H,23,24)/b22-12+
InChIKeyVIWSIEVFBRURQU-WSDLNYQXSA-N
XLogP4.28
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.28
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-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 7334233
2-(2-tert-butylphenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19169726
2-(2-tert-butylphenoxy)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135726412
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(2-tert-butylphenoxy)acetamide
CID 19165092
2-(2-bromophenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19189983
2-(4-bromo-2-tert-butylphenoxy)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 19189754
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6231272
2-(2-bromo-4-tert-butylphenoxy)-N-[[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 4922524
2-(2-bromo-4-tert-butylphenoxy)-N-(naphthalen-2-ylmethylideneamino)acetamide
CID 4922186
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 136688600

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide?
The IUPAC name of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide (CID 19165700) is N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide is COc1ccc(/C=N/NC(=O)COc2ccccc2C(C)(C)C)cc1Br.
What is the InChIKey of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide?
The InChIKey is VIWSIEVFBRURQU-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-20(2,3)15-7-5-6-8-17(15)26-13-19(24)23-22-12-14-9-10-18(25-4)16(21)11-14/h5-12H,13H2,1-4H3,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide?
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide has a molecular weight of 419.32 g/mol, XLogP of 4.28, 6 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-(2-tert-butylphenoxy)acetamide is sourced from PubChem (CID 19165700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).