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

C15H21NO3 — CID 14033051

IUPAC[2-(dipropylamino)-2-oxoethyl] benzoate
SMILESCCCN(CCC)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-10-16(11-4-2)14(17)12-19-15(18)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyCOTRONQEHWUCRV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.49
Rot. Bonds7

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

[2-(dipropylamino)-2-oxoethyl] benzoate (PubChem CID 14033051) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-(dipropylamino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(dipropylamino)-2-oxoethyl] benzoate
PubChem CID14033051
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[2-(dipropylamino)-2-oxoethyl] benzoate
SMILESCCCN(CCC)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-10-16(11-4-2)14(17)12-19-15(18)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyCOTRONQEHWUCRV-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(dipropylamino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(dipropylamino)-2-oxoethyl] benzoate (CID 14033051) is [2-(dipropylamino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(dipropylamino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(dipropylamino)-2-oxoethyl] benzoate is CCCN(CCC)C(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-(dipropylamino)-2-oxoethyl] benzoate?
The InChIKey is COTRONQEHWUCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-10-16(11-4-2)14(17)12-19-15(18)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3.
What are the key properties of [2-(dipropylamino)-2-oxoethyl] benzoate?
[2-(dipropylamino)-2-oxoethyl] benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dipropylamino)-2-oxoethyl] benzoate is sourced from PubChem (CID 14033051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).