butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate

C20H23NO5 — CID 19165843

IUPACbutyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
SMILESCCCCOC(=O)c1cccc(NC(=O)COc2ccccc2OC)c1
InChIInChI=1S/C20H23NO5/c1-3-4-12-25-20(23)15-8-7-9-16(13-15)21-19(22)14-26-18-11-6-5-10-17(18)24-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,22)
InChIKeyOCYRPNYTEBTSTK-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.67
Rot. Bonds9

About butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate

butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate (PubChem CID 19165843) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
PubChem CID19165843
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namebutyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
SMILESCCCCOC(=O)c1cccc(NC(=O)COc2ccccc2OC)c1
InChIInChI=1S/C20H23NO5/c1-3-4-12-25-20(23)15-8-7-9-16(13-15)21-19(22)14-26-18-11-6-5-10-17(18)24-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,22)
InChIKeyOCYRPNYTEBTSTK-UHFFFAOYSA-N
XLogP3.67
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180963
propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate
CID 28913518
butyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 18289886
N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 17094764
butyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]benzoate
CID 19220656
propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate
CID 84566637
butyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]benzoate
CID 7984511
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785
propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167371
[2-(3-acetylanilino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 7904218
butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175455
N-tert-butyl-3-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 9323551

Frequently Asked Questions

What is the IUPAC name of butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate?
The IUPAC name of butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate (CID 19165843) is butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate?
The canonical SMILES for butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate is CCCCOC(=O)c1cccc(NC(=O)COc2ccccc2OC)c1.
What is the InChIKey of butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate?
The InChIKey is OCYRPNYTEBTSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-4-12-25-20(23)15-8-7-9-16(13-15)21-19(22)14-26-18-11-6-5-10-17(18)24-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,22).
What are the key properties of butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate?
butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate has a molecular weight of 357.41 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 19165843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).