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

C24H31NO5 — CID 35270961

IUPACbutyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2C(C)(C)C)cc1
InChIInChI=1S/C24H31NO5/c1-6-7-14-29-23(27)17-8-10-18(11-9-17)25-22(26)16-30-21-13-12-19(28-5)15-20(21)24(2,3)4/h8-13,15H,6-7,14,16H2,1-5H3,(H,25,26)
InChIKeyGMDDHZOMMDWTLT-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.97
Rot. Bonds9

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

butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate (PubChem CID 35270961) has the molecular formula C24H31NO5 and a molecular weight of 413.51 g/mol. Its IUPAC name is butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
PubChem CID35270961
Molecular FormulaC24H31NO5
Molecular Weight413.51 g/mol
Exact Mass413.22
IUPAC Namebutyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2C(C)(C)C)cc1
InChIInChI=1S/C24H31NO5/c1-6-7-14-29-23(27)17-8-10-18(11-9-17)25-22(26)16-30-21-13-12-19(28-5)15-20(21)24(2,3)4/h8-13,15H,6-7,14,16H2,1-5H3,(H,25,26)
InChIKeyGMDDHZOMMDWTLT-UHFFFAOYSA-N
XLogP4.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19166259
propyl 4-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzoate
CID 17356495
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3537065
butyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]benzoate
CID 7984511
butyl 4-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]benzoate
CID 7894174
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 19204042
2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide
CID 17051658
methyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 7707998
butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175455
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
butyl 4-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 7926958

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate (CID 35270961) is butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2C(C)(C)C)cc1.
What is the InChIKey of butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate?
The InChIKey is GMDDHZOMMDWTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO5/c1-6-7-14-29-23(27)17-8-10-18(11-9-17)25-22(26)16-30-21-13-12-19(28-5)15-20(21)24(2,3)4/h8-13,15H,6-7,14,16H2,1-5H3,(H,25,26).
What are the key properties of butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate?
butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate has a molecular weight of 413.51 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 35270961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).