methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate

C20H23NO4 — CID 132652180

IUPACmethyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate
SMILESCCc1ccc(OC(CC)C(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C20H23NO4/c1-4-14-10-12-15(13-11-14)25-18(5-2)19(22)21-17-9-7-6-8-16(17)20(23)24-3/h6-13,18H,4-5H2,1-3H3,(H,21,22)
InChIKeyKARAERQAXSQVLK-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.83
Rot. Bonds7

About methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate

methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate (PubChem CID 132652180) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate
PubChem CID132652180
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate
SMILESCCc1ccc(OC(CC)C(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C20H23NO4/c1-4-14-10-12-15(13-11-14)25-18(5-2)19(22)21-17-9-7-6-8-16(17)20(23)24-3/h6-13,18H,4-5H2,1-3H3,(H,21,22)
InChIKeyKARAERQAXSQVLK-UHFFFAOYSA-N
XLogP3.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide
CID 99133167
2-(4-ethylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 53288679
2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 132657490
methyl 2-[2-(3-chlorophenoxy)butanoylamino]benzoate
CID 43904326
methyl 2-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzoate
CID 94019615
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
N-(2,4-dimethoxyphenyl)-2-(4-ethylphenoxy)butanamide
CID 132652445
2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43906030
ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate
CID 30391174
methyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 94013322
2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659062
ethyl 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzoate
CID 42083002

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate?
The IUPAC name of methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate (CID 132652180) is methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate.
What is the SMILES notation for methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate?
The canonical SMILES for methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate is CCc1ccc(OC(CC)C(=O)Nc2ccccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate?
The InChIKey is KARAERQAXSQVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-14-10-12-15(13-11-14)25-18(5-2)19(22)21-17-9-7-6-8-16(17)20(23)24-3/h6-13,18H,4-5H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate?
methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-ethylphenoxy)butanoylamino]benzoate is sourced from PubChem (CID 132652180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).