benzyl 4-(dibutylamino)-2-phenylbutanoate

C25H35NO2 — CID 155934862

IUPACbenzyl 4-(dibutylamino)-2-phenylbutanoate
SMILESCCCCN(CCCC)CCC(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO2/c1-3-5-18-26(19-6-4-2)20-17-24(23-15-11-8-12-16-23)25(27)28-21-22-13-9-7-10-14-22/h7-16,24H,3-6,17-21H2,1-2H3
InChIKeyGSCFKPKXYFSGDW-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.81
Rot. Bonds13

About benzyl 4-(dibutylamino)-2-phenylbutanoate

benzyl 4-(dibutylamino)-2-phenylbutanoate (PubChem CID 155934862) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is benzyl 4-(dibutylamino)-2-phenylbutanoate.

Molecular Properties

Compound Namebenzyl 4-(dibutylamino)-2-phenylbutanoate
PubChem CID155934862
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Namebenzyl 4-(dibutylamino)-2-phenylbutanoate
SMILESCCCCN(CCCC)CCC(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO2/c1-3-5-18-26(19-6-4-2)20-17-24(23-15-11-8-12-16-23)25(27)28-21-22-13-9-7-10-14-22/h7-16,24H,3-6,17-21H2,1-2H3
InChIKeyGSCFKPKXYFSGDW-UHFFFAOYSA-N
XLogP5.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl 4-(dibutylamino)-2-phenylbutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(dibutylamino)-2-phenylbutanoate?
The IUPAC name of benzyl 4-(dibutylamino)-2-phenylbutanoate (CID 155934862) is benzyl 4-(dibutylamino)-2-phenylbutanoate.
What is the SMILES notation for benzyl 4-(dibutylamino)-2-phenylbutanoate?
The canonical SMILES for benzyl 4-(dibutylamino)-2-phenylbutanoate is CCCCN(CCCC)CCC(C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl 4-(dibutylamino)-2-phenylbutanoate?
The InChIKey is GSCFKPKXYFSGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-3-5-18-26(19-6-4-2)20-17-24(23-15-11-8-12-16-23)25(27)28-21-22-13-9-7-10-14-22/h7-16,24H,3-6,17-21H2,1-2H3.
What are the key properties of benzyl 4-(dibutylamino)-2-phenylbutanoate?
benzyl 4-(dibutylamino)-2-phenylbutanoate has a molecular weight of 381.56 g/mol, XLogP of 5.81, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(dibutylamino)-2-phenylbutanoate is sourced from PubChem (CID 155934862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).