2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide

C21H25BrN2O4 — CID 19208380

IUPAC2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C21H25BrN2O4/c1-5-16-11-17(22)7-9-18(16)27-13-21(25)24-23-12-15-6-8-19(28-14(2)3)20(10-15)26-4/h6-12,14H,5,13H2,1-4H3,(H,24,25)/b23-12+
InChIKeyZAEKFASYMSJFSE-FSJBWODESA-N
MW449.35 g/mol
LogP4.34
Rot. Bonds9

About 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide

2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide (PubChem CID 19208380) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
PubChem CID19208380
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC Name2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C21H25BrN2O4/c1-5-16-11-17(22)7-9-18(16)27-13-21(25)24-23-12-15-6-8-19(28-14(2)3)20(10-15)26-4/h6-12,14H,5,13H2,1-4H3,(H,24,25)/b23-12+
InChIKeyZAEKFASYMSJFSE-FSJBWODESA-N
XLogP4.34
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19208361
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19208379
2-(4-bromo-2-ethylphenoxy)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19208369
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 19208342
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 19190317
2-(4-bromo-2-ethylphenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 19208371
2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 19189995
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide
CID 19207986
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide
CID 5431292
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 19207992
2-(4-bromo-2-methylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 3422620
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 19207996

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide (CID 19208380) is 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide is CCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide?
The InChIKey is ZAEKFASYMSJFSE-FSJBWODESA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-5-16-11-17(22)7-9-18(16)27-13-21(25)24-23-12-15-6-8-19(28-14(2)3)20(10-15)26-4/h6-12,14H,5,13H2,1-4H3,(H,24,25)/b23-12+.
What are the key properties of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide?
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide has a molecular weight of 449.35 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19208380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).