2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide

C24H23BrN2O3 — CID 4628201

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)c(Br)c1
InChIInChI=1S/C24H23BrN2O3/c1-2-18-12-13-23(21(25)14-18)30-17-24(28)27-26-15-20-10-6-7-11-22(20)29-16-19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,27,28)
InChIKeyKMDCKBMZKWBXBZ-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.12
Rot. Bonds9

About 2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 4628201) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID4628201
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)c(Br)c1
InChIInChI=1S/C24H23BrN2O3/c1-2-18-12-13-23(21(25)14-18)30-17-24(28)27-26-15-20-10-6-7-11-22(20)29-16-19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,27,28)
InChIKeyKMDCKBMZKWBXBZ-UHFFFAOYSA-N
XLogP5.12
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.12
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

2-(2-bromo-4-ethylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 4628414
2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 4981068
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide
CID 19208224
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922546
2-(1-bromonaphthalen-2-yl)oxy-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4649867
2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide
CID 4922253
2-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588989
2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 4628191
2-(3-bromophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190475
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4922199
2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 42995743
2-naphthalen-2-yloxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6041934

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide (CID 4628201) is 2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide is CCc1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is KMDCKBMZKWBXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-2-18-12-13-23(21(25)14-18)30-17-24(28)27-26-15-20-10-6-7-11-22(20)29-16-19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,27,28).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 467.36 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4628201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).