ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate

C20H23NO6 — CID 134847437

IUPACethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-5-27-20(23)17(21-19(22)13-9-7-6-8-10-13)14-11-15(24-2)18(26-4)16(12-14)25-3/h6-12,17H,5H2,1-4H3,(H,21,22)
InChIKeyJUVYOBIONHILDW-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.75
Rot. Bonds8

About ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate

ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 134847437) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID134847437
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Nameethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-5-27-20(23)17(21-19(22)13-9-7-6-8-10-13)14-11-15(24-2)18(26-4)16(12-14)25-3/h6-12,17H,5H2,1-4H3,(H,21,22)
InChIKeyJUVYOBIONHILDW-UHFFFAOYSA-N
XLogP2.75
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methylbutyl (2S)-2-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40551436
ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate
CID 139803936
ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
CID 72736950
ethyl 2-phenylselanyl-2-(3,4,5-trimethoxyphenyl)acetate
CID 11395726
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide
CID 51308652
N-[(1R,2R)-3-amino-2-benzamido-3-oxo-1-phenylpropyl]-3,4,5-trimethoxybenzenecarboximidoyl cyanide
CID 102090066
ethyl 3-benzamido-2-oxo-3-phenylpropanoate
CID 11809094
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
3,4,5-trimethoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647149

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate (CID 134847437) is ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate is CCOC(=O)C(NC(=O)c1ccccc1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is JUVYOBIONHILDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-5-27-20(23)17(21-19(22)13-9-7-6-8-10-13)14-11-15(24-2)18(26-4)16(12-14)25-3/h6-12,17H,5H2,1-4H3,(H,21,22).
What are the key properties of ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate?
ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 373.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 134847437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).