butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate

C23H28N2O6 — CID 55865373

IUPACbutyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COc2c(OC)cccc2C(=O)N(C)C)cc1
InChIInChI=1S/C23H28N2O6/c1-5-6-14-30-23(28)16-10-12-17(13-11-16)24-20(26)15-31-21-18(22(27)25(2)3)8-7-9-19(21)29-4/h7-13H,5-6,14-15H2,1-4H3,(H,24,26)
InChIKeyWNSJFJFREOMZAQ-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.37
Rot. Bonds10

About butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate

butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate (PubChem CID 55865373) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate
PubChem CID55865373
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Namebutyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COc2c(OC)cccc2C(=O)N(C)C)cc1
InChIInChI=1S/C23H28N2O6/c1-5-6-14-30-23(28)16-10-12-17(13-11-16)24-20(26)15-31-21-18(22(27)25(2)3)8-7-9-19(21)29-4/h7-13H,5-6,14-15H2,1-4H3,(H,24,26)
InChIKeyWNSJFJFREOMZAQ-UHFFFAOYSA-N
XLogP3.37
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate with MolForge

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Related Compounds

butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7984519
2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide
CID 55863991
butyl 4-[3-(2,6-dimethoxyphenyl)propanoylamino]benzoate
CID 100789605
butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175455
butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
CID 19165843
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
CID 7811220
butyl 4-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]benzoate
CID 7894174
butyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]benzoate
CID 7984511
octyl 4-[[3-(2-methoxyphenyl)-3-oxopropanoyl]amino]benzoate
CID 4550624
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38908720
butyl 4-[2-[4-(dimethylamino)anilino]-2-oxoethoxy]benzoate
CID 7762125

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate (CID 55865373) is butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)COc2c(OC)cccc2C(=O)N(C)C)cc1.
What is the InChIKey of butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate?
The InChIKey is WNSJFJFREOMZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-5-6-14-30-23(28)16-10-12-17(13-11-16)24-20(26)15-31-21-18(22(27)25(2)3)8-7-9-19(21)29-4/h7-13H,5-6,14-15H2,1-4H3,(H,24,26).
What are the key properties of butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate?
butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate has a molecular weight of 428.49 g/mol, XLogP of 3.37, 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-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 55865373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).