ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate

C23H29NO7 — CID 67110496

IUPACethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate
SMILESCCOC(=O)CN(Cc1ccc(OC)cc1OC)Cc1cc(O)ccc1C(=O)OCC
InChIInChI=1S/C23H29NO7/c1-5-30-22(26)15-24(13-16-7-9-19(28-3)12-21(16)29-4)14-17-11-18(25)8-10-20(17)23(27)31-6-2/h7-12,25H,5-6,13-15H2,1-4H3
InChIKeyYIZGSXXUMZLSTQ-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.15
Rot. Bonds11

About ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate

ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate (PubChem CID 67110496) has the molecular formula C23H29NO7 and a molecular weight of 431.49 g/mol. Its IUPAC name is ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate
PubChem CID67110496
Molecular FormulaC23H29NO7
Molecular Weight431.49 g/mol
Exact Mass431.19
IUPAC Nameethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate
SMILESCCOC(=O)CN(Cc1ccc(OC)cc1OC)Cc1cc(O)ccc1C(=O)OCC
InChIInChI=1S/C23H29NO7/c1-5-30-22(26)15-24(13-16-7-9-19(28-3)12-21(16)29-4)14-17-11-18(25)8-10-20(17)23(27)31-6-2/h7-12,25H,5-6,13-15H2,1-4H3
InChIKeyYIZGSXXUMZLSTQ-UHFFFAOYSA-N
XLogP3.15
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-3-methyl-1,2-oxazole-4-carboxylate
CID 67530941
ethyl 4-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate
CID 67531325
ethyl 2-(bromomethyl)-4-methoxybenzoate
CID 10333471
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 4-hydroxy-2-propylbenzoate
CID 66937592
ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641178
4-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-2-pyrimidin-5-yl-1,3-thiazole-5-carboxylic acid
CID 141190999
4-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 157121525
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate
CID 139401063
(4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate
CID 66574429
tert-butyl 4-[(2,4-dimethoxyphenyl)methyl-(3-ethoxy-3-oxopropanoyl)amino]benzoate
CID 142435917

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate?
The IUPAC name of ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate (CID 67110496) is ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate.
What is the SMILES notation for ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate?
The canonical SMILES for ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate is CCOC(=O)CN(Cc1ccc(OC)cc1OC)Cc1cc(O)ccc1C(=O)OCC.
What is the InChIKey of ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate?
The InChIKey is YIZGSXXUMZLSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO7/c1-5-30-22(26)15-24(13-16-7-9-19(28-3)12-21(16)29-4)14-17-11-18(25)8-10-20(17)23(27)31-6-2/h7-12,25H,5-6,13-15H2,1-4H3.
What are the key properties of ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate?
ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate has a molecular weight of 431.49 g/mol, XLogP of 3.15, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-hydroxybenzoate is sourced from PubChem (CID 67110496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).