butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate

C25H25NO5 — CID 7867111

IUPACbutyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C25H25NO5/c1-2-3-15-30-25(29)19-11-13-21(14-12-19)26-23(27)17-31-24(28)16-20-9-6-8-18-7-4-5-10-22(18)20/h4-14H,2-3,15-17H2,1H3,(H,26,27)
InChIKeyLXAFCNWFUFHFLR-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.52
Rot. Bonds9

About butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate

butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate (PubChem CID 7867111) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
PubChem CID7867111
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Namebutyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C25H25NO5/c1-2-3-15-30-25(29)19-11-13-21(14-12-19)26-23(27)17-31-24(28)16-20-9-6-8-18-7-4-5-10-22(18)20/h4-14H,2-3,15-17H2,1H3,(H,26,27)
InChIKeyLXAFCNWFUFHFLR-UHFFFAOYSA-N
XLogP4.52
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.52
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-naphthalen-1-ylacetyl)oxyacetyl]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

[2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2353518
[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625330
butyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
CID 7798928
butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 8792619
butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175455
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
[2-(4-butoxycarbonylanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 7812667
butyl 4-[[2-[4-oxo-4-[3-(trifluoromethyl)anilino]butanoyl]oxyacetyl]amino]benzoate
CID 17260342
pentyl 4-(naphthalene-1-carbonylamino)benzoate
CID 19203532
butyl 4-[[2-[[amino(phenyl)methylidene]amino]oxyacetyl]amino]benzoate
CID 74267716
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38908720
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625312

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate (CID 7867111) is butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate?
The InChIKey is LXAFCNWFUFHFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-2-3-15-30-25(29)19-11-13-21(14-12-19)26-23(27)17-31-24(28)16-20-9-6-8-18-7-4-5-10-22(18)20/h4-14H,2-3,15-17H2,1H3,(H,26,27).
What are the key properties of butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate?
butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate has a molecular weight of 419.48 g/mol, XLogP of 4.52, 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-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 7867111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).