methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate

C20H23NO5 — CID 67148501

IUPACmethyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1cc(OC)c(OC)cc1CNC(=O)Cc1ccccc1
InChIInChI=1S/C20H23NO5/c1-24-17-10-15(12-20(23)26-3)16(11-18(17)25-2)13-21-19(22)9-14-7-5-4-6-8-14/h4-8,10-11H,9,12-13H2,1-3H3,(H,21,22)
InChIKeyHAURAFHXKBLLAM-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.28
Rot. Bonds8

About methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate

methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate (PubChem CID 67148501) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate
PubChem CID67148501
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namemethyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1cc(OC)c(OC)cc1CNC(=O)Cc1ccccc1
InChIInChI=1S/C20H23NO5/c1-24-17-10-15(12-20(23)26-3)16(11-18(17)25-2)13-21-19(22)9-14-7-5-4-6-8-14/h4-8,10-11H,9,12-13H2,1-3H3,(H,21,22)
InChIKeyHAURAFHXKBLLAM-UHFFFAOYSA-N
XLogP2.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate 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

2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide
CID 154144310
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
2-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 28711930
CID 172801156
CID 172801156
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate (CID 67148501) is methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate is COC(=O)Cc1cc(OC)c(OC)cc1CNC(=O)Cc1ccccc1.
What is the InChIKey of methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate?
The InChIKey is HAURAFHXKBLLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-24-17-10-15(12-20(23)26-3)16(11-18(17)25-2)13-21-19(22)9-14-7-5-4-6-8-14/h4-8,10-11H,9,12-13H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate?
methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate has a molecular weight of 357.41 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate is sourced from PubChem (CID 67148501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).