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

C11H13NO3 — CID 14033080

IUPAC[2-(ethylamino)-2-oxoethyl] benzoate
SMILESCCNC(=O)COC(=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-2-12-10(13)8-15-11(14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13)
InChIKeyFPWKJKWOCSENMO-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.98
Rot. Bonds4

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

[2-(ethylamino)-2-oxoethyl] benzoate (PubChem CID 14033080) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] benzoate
PubChem CID14033080
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[2-(ethylamino)-2-oxoethyl] benzoate
SMILESCCNC(=O)COC(=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-2-12-10(13)8-15-11(14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13)
InChIKeyFPWKJKWOCSENMO-UHFFFAOYSA-N
XLogP0.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10770
CID 10770
CID 4065
CID 4065
CID 101925
CID 101925
CID 76298
CID 76298
CID 5131781
CID 5131781
CID 75158
CID 75158
CID 2431145
CID 2431145
CID 6604266
CID 6604266
CID 197768
CID 197768
CID 16632
CID 16632
CID 2100132
CID 2100132
CID 2334847
CID 2334847

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] benzoate (CID 14033080) is [2-(ethylamino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] benzoate is CCNC(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] benzoate?
The InChIKey is FPWKJKWOCSENMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-12-10(13)8-15-11(14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13).
What are the key properties of [2-(ethylamino)-2-oxoethyl] benzoate?
[2-(ethylamino)-2-oxoethyl] benzoate has a molecular weight of 207.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] benzoate is sourced from PubChem (CID 14033080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).