methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate

C20H23NO6 — CID 5305505

IUPACmethyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C20H23NO6/c1-24-14-8-5-13(6-9-14)7-10-19(22)21-16-12-18(26-3)17(25-2)11-15(16)20(23)27-4/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,21,22)
InChIKeyXXWDXFASCNAGTG-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.07
Rot. Bonds8

About methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate

methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate (PubChem CID 5305505) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
PubChem CID5305505
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namemethyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C20H23NO6/c1-24-14-8-5-13(6-9-14)7-10-19(22)21-16-12-18(26-3)17(25-2)11-15(16)20(23)27-4/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,21,22)
InChIKeyXXWDXFASCNAGTG-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate 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

[4-[3-(2-acetyl-4,5-dimethoxyanilino)-3-oxopropyl]phenyl]carbamic acid
CID 70105532
methyl 4,5-dimethoxy-2-[4-(4-methylphenoxy)butanoylamino]benzoate
CID 7917719
methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate
CID 2120642
methyl 4,5-dimethoxy-2-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119677751
methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 36930959
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
CID 2808926
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 8801664
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 87001806

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate (CID 5305505) is methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
The InChIKey is XXWDXFASCNAGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-24-14-8-5-13(6-9-14)7-10-19(22)21-16-12-18(26-3)17(25-2)11-15(16)20(23)27-4/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,21,22).
What are the key properties of methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate?
methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate has a molecular weight of 373.41 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate is sourced from PubChem (CID 5305505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).