2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide

C19H21BrN2O2 — CID 4922253

IUPAC2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide
SMILESCCc1ccc(OCC(=O)NN=CCCc2ccccc2)c(Br)c1
InChIInChI=1S/C19H21BrN2O2/c1-2-15-10-11-18(17(20)13-15)24-14-19(23)22-21-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,22,23)
InChIKeyLAADEFBGCPGUBD-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.13
Rot. Bonds8

About 2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide

2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide (PubChem CID 4922253) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide
PubChem CID4922253
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide
SMILESCCc1ccc(OCC(=O)NN=CCCc2ccccc2)c(Br)c1
InChIInChI=1S/C19H21BrN2O2/c1-2-15-10-11-18(17(20)13-15)24-14-19(23)22-21-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,22,23)
InChIKeyLAADEFBGCPGUBD-UHFFFAOYSA-N
XLogP4.13
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenylethylideneamino)acetamide
CID 4922546
2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4628201
2-(2-bromo-4-ethylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 4628414
2-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588989
2-(2-bromo-4-ethylphenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4628409
2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173639
2-(2-bromo-4-ethylphenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4627721
2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 4981068
2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
CID 19201978
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134530
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164493

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide (CID 4922253) is 2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide is CCc1ccc(OCC(=O)NN=CCCc2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide?
The InChIKey is LAADEFBGCPGUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-2-15-10-11-18(17(20)13-15)24-14-19(23)22-21-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide?
2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide has a molecular weight of 389.29 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide is sourced from PubChem (CID 4922253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).