methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate

C21H26N2O5 — CID 8550669

IUPACmethyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN(C)Cc2cc(OC)c(OC)cc2C)cc1
InChIInChI=1S/C21H26N2O5/c1-14-10-18(26-3)19(27-4)11-16(14)12-23(2)13-20(24)22-17-8-6-15(7-9-17)21(25)28-5/h6-11H,12-13H2,1-5H3,(H,22,24)
InChIKeyPLUYDWVAPWOGPK-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.87
Rot. Bonds8

About methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate

methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate (PubChem CID 8550669) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
PubChem CID8550669
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Namemethyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN(C)Cc2cc(OC)c(OC)cc2C)cc1
InChIInChI=1S/C21H26N2O5/c1-14-10-18(26-3)19(27-4)11-16(14)12-23(2)13-20(24)22-17-8-6-15(7-9-17)21(25)28-5/h6-11H,12-13H2,1-5H3,(H,22,24)
InChIKeyPLUYDWVAPWOGPK-UHFFFAOYSA-N
XLogP2.87
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8805335
ethyl 4-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9100437
N-(4-acetylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101527
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550831
methyl 2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8551046
dimethyl 5-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 9045702
N-(2,3-dichlorophenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550699
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291
methyl 4-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9041063
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8550310
4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 9136923
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate (CID 8550669) is methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CN(C)Cc2cc(OC)c(OC)cc2C)cc1.
What is the InChIKey of methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate?
The InChIKey is PLUYDWVAPWOGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-14-10-18(26-3)19(27-4)11-16(14)12-23(2)13-20(24)22-17-8-6-15(7-9-17)21(25)28-5/h6-11H,12-13H2,1-5H3,(H,22,24).
What are the key properties of methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate?
methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate has a molecular weight of 386.45 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate is sourced from PubChem (CID 8550669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).