2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide

C20H23BrN2O4 — CID 19208361

IUPAC2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2CC)cc1OC
InChIInChI=1S/C20H23BrN2O4/c1-4-15-11-16(21)7-9-17(15)27-13-20(24)23-22-12-14-6-8-18(26-5-2)19(10-14)25-3/h6-12H,4-5,13H2,1-3H3,(H,23,24)/b22-12+
InChIKeyHLUQOZDGZCPDPQ-WSDLNYQXSA-N
MW435.32 g/mol
LogP3.95
Rot. Bonds9

About 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide

2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 19208361) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID19208361
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2CC)cc1OC
InChIInChI=1S/C20H23BrN2O4/c1-4-15-11-16(21)7-9-17(15)27-13-20(24)23-22-12-14-6-8-18(26-5-2)19(10-14)25-3/h6-12H,4-5,13H2,1-3H3,(H,23,24)/b22-12+
InChIKeyHLUQOZDGZCPDPQ-WSDLNYQXSA-N
XLogP3.95
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.95
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)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19208379
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 19208380
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-(2-bromophenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19189983
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 19189995
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide
CID 5431292
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide (CID 19208361) is 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide is CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2CC)cc1OC.
What is the InChIKey of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is HLUQOZDGZCPDPQ-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-4-15-11-16(21)7-9-17(15)27-13-20(24)23-22-12-14-6-8-18(26-5-2)19(10-14)25-3/h6-12H,4-5,13H2,1-3H3,(H,23,24)/b22-12+.
What are the key properties of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide?
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 435.32 g/mol, XLogP of 3.95, 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)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19208361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).