ethyl 3-(dibenzylamino)butanoate

C20H25NO2 — CID 614165

IUPACethyl 3-(dibenzylamino)butanoate
SMILESCCOC(=O)CC(C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO2/c1-3-23-20(22)14-17(2)21(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,17H,3,14-16H2,1-2H3
InChIKeyPQOVSMYWPDLYQL-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.03
Rot. Bonds8

About ethyl 3-(dibenzylamino)butanoate

ethyl 3-(dibenzylamino)butanoate (PubChem CID 614165) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is ethyl 3-(dibenzylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-(dibenzylamino)butanoate
PubChem CID614165
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Nameethyl 3-(dibenzylamino)butanoate
SMILESCCOC(=O)CC(C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO2/c1-3-23-20(22)14-17(2)21(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,17H,3,14-16H2,1-2H3
InChIKeyPQOVSMYWPDLYQL-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Phenylmethyl)-beta-alanine ethyl ester
CID 90196
Ethyl 1-(3-phenyl-2-propen-1-yl)-4-piperidinecarboxylate
CID 782814
3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Ester
CID 69926
Ethyl 1-benzylpiperidine-4-carboxylate
CID 90423
Ethyl 1-(4-biphenylylmethyl)-4-piperidinecarboxylate
CID 765234
Ethyl 1-(4-biphenylylmethyl)-3-piperidinecarboxylate
CID 2838654
Methyl 1-benzylpyrrolidine-3-carboxylate
CID 4610751
(S)-2-Dibenzylamino-propionaldehyde
CID 11107860
N-(3-Methoxy-2-methyl-3-oxopropyl)-N-(phenylmethyl)-beta-alanine ethyl ester
CID 98098
Ethyl 1-(2-methylbenzyl)-3-piperidinecarboxylate
CID 2837947
Ethyl 1-(2-methylbenzyl)-4-piperidinecarboxylate
CID 764682
Ethyl 1-(4-Fluoro-benzyl)-piperidine-4-carboxylate
CID 764943

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dibenzylamino)butanoate?
The IUPAC name of ethyl 3-(dibenzylamino)butanoate (CID 614165) is ethyl 3-(dibenzylamino)butanoate.
What is the SMILES notation for ethyl 3-(dibenzylamino)butanoate?
The canonical SMILES for ethyl 3-(dibenzylamino)butanoate is CCOC(=O)CC(C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl 3-(dibenzylamino)butanoate?
The InChIKey is PQOVSMYWPDLYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-23-20(22)14-17(2)21(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,17H,3,14-16H2,1-2H3.
What are the key properties of ethyl 3-(dibenzylamino)butanoate?
ethyl 3-(dibenzylamino)butanoate has a molecular weight of 311.43 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dibenzylamino)butanoate is sourced from PubChem (CID 614165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).