[2-(dibutylamino)-2-oxoethyl] benzoate

C17H25NO3 — CID 14033053

IUPAC[2-(dibutylamino)-2-oxoethyl] benzoate
SMILESCCCCN(CCCC)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-3-5-12-18(13-6-4-2)16(19)14-21-17(20)15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3
InChIKeyORAHATGHUWMRCM-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.27
Rot. Bonds9

About [2-(dibutylamino)-2-oxoethyl] benzoate

[2-(dibutylamino)-2-oxoethyl] benzoate (PubChem CID 14033053) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [2-(dibutylamino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(dibutylamino)-2-oxoethyl] benzoate
PubChem CID14033053
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[2-(dibutylamino)-2-oxoethyl] benzoate
SMILESCCCCN(CCCC)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-3-5-12-18(13-6-4-2)16(19)14-21-17(20)15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3
InChIKeyORAHATGHUWMRCM-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(dibutylamino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(dibutylamino)-2-oxoethyl] benzoate (CID 14033053) is [2-(dibutylamino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(dibutylamino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(dibutylamino)-2-oxoethyl] benzoate is CCCCN(CCCC)C(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-(dibutylamino)-2-oxoethyl] benzoate?
The InChIKey is ORAHATGHUWMRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-5-12-18(13-6-4-2)16(19)14-21-17(20)15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3.
What are the key properties of [2-(dibutylamino)-2-oxoethyl] benzoate?
[2-(dibutylamino)-2-oxoethyl] benzoate has a molecular weight of 291.39 g/mol, XLogP of 3.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibutylamino)-2-oxoethyl] benzoate is sourced from PubChem (CID 14033053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).