4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide

C21H25BrN2O3 — CID 19208224

IUPAC4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide
SMILESCCOc1ccccc1/C=N/NC(=O)CCCOc1ccc(CC)cc1Br
InChIInChI=1S/C21H25BrN2O3/c1-3-16-11-12-20(18(22)14-16)27-13-7-10-21(25)24-23-15-17-8-5-6-9-19(17)26-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13H2,1-2H3,(H,24,25)/b23-15+
InChIKeySFYIKVILPCENLV-HZHRSRAPSA-N
MW433.35 g/mol
LogP4.72
Rot. Bonds10

About 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide

4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide (PubChem CID 19208224) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide
PubChem CID19208224
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide
SMILESCCOc1ccccc1/C=N/NC(=O)CCCOc1ccc(CC)cc1Br
InChIInChI=1S/C21H25BrN2O3/c1-3-16-11-12-20(18(22)14-16)27-13-7-10-21(25)24-23-15-17-8-5-6-9-19(17)26-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13H2,1-2H3,(H,24,25)/b23-15+
InChIKeySFYIKVILPCENLV-HZHRSRAPSA-N
XLogP4.72
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-ethoxyphenyl)methylideneamino]butanamide
CID 19208210
2-(2-bromo-4-ethylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 4628414
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide
CID 19208191
2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4628201
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]butanamide
CID 19208201
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-4-(2-bromo-4-ethylphenoxy)butanamide
CID 19208268
4-(2-bromo-4-ethylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide
CID 19208240
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]butanamide
CID 19208220
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-(2-bromo-4-methylphenoxy)butanamide
CID 19208092
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4922199
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]butanamide
CID 19208259

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide?
The IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide (CID 19208224) is 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide is CCOc1ccccc1/C=N/NC(=O)CCCOc1ccc(CC)cc1Br.
What is the InChIKey of 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide?
The InChIKey is SFYIKVILPCENLV-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-3-16-11-12-20(18(22)14-16)27-13-7-10-21(25)24-23-15-17-8-5-6-9-19(17)26-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13H2,1-2H3,(H,24,25)/b23-15+.
What are the key properties of 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide?
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide has a molecular weight of 433.35 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 19208224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).