[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate

C13H17NO5 — CID 14033064

IUPAC[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate
SMILESO=C(OCC(=O)N(CCO)CCO)c1ccccc1
InChIInChI=1S/C13H17NO5/c15-8-6-14(7-9-16)12(17)10-19-13(18)11-4-2-1-3-5-11/h1-5,15-16H,6-10H2
InChIKeyUCIUVGVKELKZSD-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.34
Rot. Bonds7

About [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate

[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate (PubChem CID 14033064) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate
PubChem CID14033064
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate
SMILESO=C(OCC(=O)N(CCO)CCO)c1ccccc1
InChIInChI=1S/C13H17NO5/c15-8-6-14(7-9-16)12(17)10-19-13(18)11-4-2-1-3-5-11/h1-5,15-16H,6-10H2
InChIKeyUCIUVGVKELKZSD-UHFFFAOYSA-N
XLogP-0.34
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate with MolForge

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

Launch Full Analysis

Related Compounds

Benzoylcholine chloride
CID 76298
2-Dimethylaminoethyl benzoate
CID 75158
Benzoic acid 2-morpholin-4-yl-ethyl ester
CID 2836419
Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 197768
Ethanol, 2-(diethylamino)-, benzoate (1:1)
CID 176191
Benzoylcholine
CID 16632
[2-(Cyclopentylamino)-2-oxoethyl] benzoate
CID 2346228
(2-Morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate
CID 2347986
(2-Morpholin-4-yl-2-oxoethyl) 4-cyanobenzoate
CID 2431349
[2-(Azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate
CID 2433412
[2-(Azepan-1-yl)-2-oxoethyl] 3,5-dimethylbenzoate
CID 2434321
[2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2491225

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate (CID 14033064) is [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate is O=C(OCC(=O)N(CCO)CCO)c1ccccc1.
What is the InChIKey of [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate?
The InChIKey is UCIUVGVKELKZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c15-8-6-14(7-9-16)12(17)10-19-13(18)11-4-2-1-3-5-11/h1-5,15-16H,6-10H2.
What are the key properties of [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate?
[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate has a molecular weight of 267.28 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] benzoate is sourced from PubChem (CID 14033064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).