butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate

C21H25NO4 — CID 19175455

IUPACbutyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COc2ccccc2CC)cc1
InChIInChI=1S/C21H25NO4/c1-3-5-14-25-21(24)17-10-12-18(13-11-17)22-20(23)15-26-19-9-7-6-8-16(19)4-2/h6-13H,3-5,14-15H2,1-2H3,(H,22,23)
InChIKeyFPOWLOPDSNXUBU-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.22
Rot. Bonds9

About butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate

butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate (PubChem CID 19175455) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
PubChem CID19175455
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namebutyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COc2ccccc2CC)cc1
InChIInChI=1S/C21H25NO4/c1-3-5-14-25-21(24)17-10-12-18(13-11-17)22-20(23)15-26-19-9-7-6-8-16(19)4-2/h6-13H,3-5,14-15H2,1-2H3,(H,22,23)
InChIKeyFPOWLOPDSNXUBU-UHFFFAOYSA-N
XLogP4.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexyl 4-[[2-(2-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 19237223
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175752
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38908720
4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 724713
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate
CID 7984493
butyl 4-[[2-(1-oxidopyridin-1-ium-2-yl)oxyacetyl]amino]benzoate
CID 9354869
butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 7867111
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3537065
2-(2-ethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711312
butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7984519
butyl 4-[2-[4-(dimethylamino)anilino]-2-oxoethoxy]benzoate
CID 7762125

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate (CID 19175455) is butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)COc2ccccc2CC)cc1.
What is the InChIKey of butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate?
The InChIKey is FPOWLOPDSNXUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-3-5-14-25-21(24)17-10-12-18(13-11-17)22-20(23)15-26-19-9-7-6-8-16(19)4-2/h6-13H,3-5,14-15H2,1-2H3,(H,22,23).
What are the key properties of butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate?
butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate has a molecular weight of 355.43 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 19175455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).