methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate

C20H24N2O4 — CID 8799418

IUPACmethyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
SMILESCCOc1ccc(CN(C)CC(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-4-26-18-11-5-15(6-12-18)13-22(2)14-19(23)21-17-9-7-16(8-10-17)20(24)25-3/h5-12H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyVMEGMURCBORISX-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.94
Rot. Bonds8

About methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate

methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate (PubChem CID 8799418) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
PubChem CID8799418
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namemethyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
SMILESCCOc1ccc(CN(C)CC(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-4-26-18-11-5-15(6-12-18)13-22(2)14-19(23)21-17-9-7-16(8-10-17)20(24)25-3/h5-12H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyVMEGMURCBORISX-UHFFFAOYSA-N
XLogP2.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9041063
N-(4-ethoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794745
methyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373124
4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide
CID 46683346
N-(4-ethoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683543
methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 8799417
methyl 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetyl]amino]benzoate
CID 31380061
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
CID 8695112
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 31632489

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate (CID 8799418) is methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate is CCOc1ccc(CN(C)CC(=O)Nc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate?
The InChIKey is VMEGMURCBORISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-26-18-11-5-15(6-12-18)13-22(2)14-19(23)21-17-9-7-16(8-10-17)20(24)25-3/h5-12H,4,13-14H2,1-3H3,(H,21,23).
What are the key properties of methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate?
methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate has a molecular weight of 356.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate is sourced from PubChem (CID 8799418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).