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

C20H24N2O4 — CID 8805335

IUPACmethyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN(C)Cc2cc(C)ccc2OC)cc1
InChIInChI=1S/C20H24N2O4/c1-14-5-10-18(25-3)16(11-14)12-22(2)13-19(23)21-17-8-6-15(7-9-17)20(24)26-4/h5-11H,12-13H2,1-4H3,(H,21,23)
InChIKeyWVWRYEJVTHXACH-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.86
Rot. Bonds7

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

methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate (PubChem CID 8805335) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
PubChem CID8805335
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namemethyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN(C)Cc2cc(C)ccc2OC)cc1
InChIInChI=1S/C20H24N2O4/c1-14-5-10-18(25-3)16(11-14)12-22(2)13-19(23)21-17-8-6-15(7-9-17)20(24)26-4/h5-11H,12-13H2,1-4H3,(H,21,23)
InChIKeyWVWRYEJVTHXACH-UHFFFAOYSA-N
XLogP2.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8550669
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641843
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(phenylcarbamoyl)acetamide
CID 26647351
dimethyl 5-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 9045702
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8805849
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8805861
4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 9136923
ethyl 4-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9100437
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 2657702
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9039794
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate (CID 8805335) is methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CN(C)Cc2cc(C)ccc2OC)cc1.
What is the InChIKey of methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate?
The InChIKey is WVWRYEJVTHXACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-5-10-18(25-3)16(11-14)12-22(2)13-19(23)21-17-8-6-15(7-9-17)20(24)26-4/h5-11H,12-13H2,1-4H3,(H,21,23).
What are the key properties of methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate?
methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate has a molecular weight of 356.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate is sourced from PubChem (CID 8805335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).