ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate

C20H23NO6 — CID 156757787

IUPACethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1cc(OC)c(OC)cc1O)NC(=O)c1ccccc1
InChIInChI=1S/C20H23NO6/c1-4-27-20(24)15(21-19(23)13-8-6-5-7-9-13)10-14-11-17(25-2)18(26-3)12-16(14)22/h5-9,11-12,15,22H,4,10H2,1-3H3,(H,21,23)
InChIKeyPWXJHBKFCKULEI-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.31
Rot. Bonds8

About ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate

ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate (PubChem CID 156757787) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
PubChem CID156757787
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Nameethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1cc(OC)c(OC)cc1O)NC(=O)c1ccccc1
InChIInChI=1S/C20H23NO6/c1-4-27-20(24)15(21-19(23)13-8-6-5-7-9-13)10-14-11-17(25-2)18(26-3)12-16(14)22/h5-9,11-12,15,22H,4,10H2,1-3H3,(H,21,23)
InChIKeyPWXJHBKFCKULEI-UHFFFAOYSA-N
XLogP2.31
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate?
The IUPAC name of ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate (CID 156757787) is ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate is CCOC(=O)C(Cc1cc(OC)c(OC)cc1O)NC(=O)c1ccccc1.
What is the InChIKey of ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate?
The InChIKey is PWXJHBKFCKULEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-4-27-20(24)15(21-19(23)13-8-6-5-7-9-13)10-14-11-17(25-2)18(26-3)12-16(14)22/h5-9,11-12,15,22H,4,10H2,1-3H3,(H,21,23).
What are the key properties of ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate?
ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate has a molecular weight of 373.41 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate is sourced from PubChem (CID 156757787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).