butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate

C22H25NO6 — CID 8792619

IUPACbutyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C22H25NO6/c1-3-4-12-28-22(26)17-8-10-18(11-9-17)23-20(24)15-29-21(25)14-16-6-5-7-19(13-16)27-2/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,23,24)
InChIKeyYHVXKNDHWWSHMX-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.38
Rot. Bonds10

About butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate

butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate (PubChem CID 8792619) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
PubChem CID8792619
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Namebutyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C22H25NO6/c1-3-4-12-28-22(26)17-8-10-18(11-9-17)23-20(24)15-29-21(25)14-16-6-5-7-19(13-16)27-2/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,23,24)
InChIKeyYHVXKNDHWWSHMX-UHFFFAOYSA-N
XLogP3.38
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840231
propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 19204042
butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 7867111
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840224
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
butyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
CID 7798928
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840226
[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840241
butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate
CID 29199685
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792811
[2-(4-butoxycarbonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631611
ethyl 4-[[2-[2-[3-(trifluoromethyl)phenyl]acetyl]oxyacetyl]amino]benzoate
CID 7767527

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate (CID 8792619) is butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc(OC)c2)cc1.
What is the InChIKey of butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is YHVXKNDHWWSHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-3-4-12-28-22(26)17-8-10-18(11-9-17)23-20(24)15-29-21(25)14-16-6-5-7-19(13-16)27-2/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,23,24).
What are the key properties of butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate?
butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 399.44 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 8792619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).