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

C23H29NO4 — CID 3537065

IUPACbutyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H29NO4/c1-5-6-15-27-22(26)17-7-11-19(12-8-17)24-21(25)16-28-20-13-9-18(10-14-20)23(2,3)4/h7-14H,5-6,15-16H2,1-4H3,(H,24,25)
InChIKeyMVAMHNFLTCLBSF-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.96
Rot. Bonds8

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

butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate (PubChem CID 3537065) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
PubChem CID3537065
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Namebutyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H29NO4/c1-5-6-15-27-22(26)17-7-11-19(12-8-17)24-21(25)16-28-20-13-9-18(10-14-20)23(2,3)4/h7-14H,5-6,15-16H2,1-4H3,(H,24,25)
InChIKeyMVAMHNFLTCLBSF-UHFFFAOYSA-N
XLogP4.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 4-[[2-(4-tert-butylphenoxy)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

ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
propyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173583
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7984519
butyl 4-[2-[4-(dimethylamino)anilino]-2-oxoethoxy]benzoate
CID 7762125
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
butyl 4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]benzoate
CID 19237060
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
CID 35270961
propyl 4-[[2-(4-butoxyanilino)acetyl]amino]benzoate
CID 54820220
butyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]benzoate
CID 7984511

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate (CID 3537065) is butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate?
The InChIKey is MVAMHNFLTCLBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-5-6-15-27-22(26)17-7-11-19(12-8-17)24-21(25)16-28-20-13-9-18(10-14-20)23(2,3)4/h7-14H,5-6,15-16H2,1-4H3,(H,24,25).
What are the key properties of butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate?
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate has a molecular weight of 383.49 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 3537065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).