[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate

C21H25NO6 — CID 2479702

IUPAC[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate
SMILESCCOc1ccc(CCNC(=O)COC(=O)c2ccccc2O)cc1OCC
InChIInChI=1S/C21H25NO6/c1-3-26-18-10-9-15(13-19(18)27-4-2)11-12-22-20(24)14-28-21(25)16-7-5-6-8-17(16)23/h5-10,13,23H,3-4,11-12,14H2,1-2H3,(H,22,24)
InChIKeyHTRIRODZVIXTTL-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.71
Rot. Bonds10

About [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate

[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 2479702) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate
PubChem CID2479702
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate
SMILESCCOc1ccc(CCNC(=O)COC(=O)c2ccccc2O)cc1OCC
InChIInChI=1S/C21H25NO6/c1-3-26-18-10-9-15(13-19(18)27-4-2)11-12-22-20(24)14-28-21(25)16-7-5-6-8-17(16)23/h5-10,13,23H,3-4,11-12,14H2,1-2H3,(H,22,24)
InChIKeyHTRIRODZVIXTTL-UHFFFAOYSA-N
XLogP2.71
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-Oxo-2-(2-phenylethylamino)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2356972
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
CID 2364511
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2636785
Methyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethoxy]-3-methoxybenzoate
CID 3646368
Methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-(4-hydroxyphenyl)propanoate
CID 16331625
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 24685868
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 24685929
3-(3,4-Dimethoxyphenyl)-3-[(phenoxyacetyl)amino]propanoic acid
CID 3239444
3-(4-Ethoxy-3-methoxyphenyl)-3-[(phenoxyacetyl)amino]propanoic acid
CID 3380102
Methyl 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]benzoate
CID 13040884
Methyl 2-[2-hydroxy-3-[2-[(2-phenylacetyl)amino]ethylamino]propoxy]benzoate
CID 13732861
N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentoxybenzamide
CID 19363289

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate (CID 2479702) is [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate is CCOc1ccc(CCNC(=O)COC(=O)c2ccccc2O)cc1OCC.
What is the InChIKey of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is HTRIRODZVIXTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-3-26-18-10-9-15(13-19(18)27-4-2)11-12-22-20(24)14-28-21(25)16-7-5-6-8-17(16)23/h5-10,13,23H,3-4,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate?
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 387.43 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 2479702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).