[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate

C19H20N2O5 — CID 2625536

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
SMILESCOc1ccc(CNC(=O)COC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O5/c1-25-16-9-7-14(8-10-16)11-20-17(22)13-26-18(23)12-21-19(24)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,22)(H,21,24)
InChIKeyIFUJIHVBVBJZFO-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.28
Rot. Bonds8

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate (PubChem CID 2625536) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
PubChem CID2625536
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
SMILESCOc1ccc(CNC(=O)COC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O5/c1-25-16-9-7-14(8-10-16)11-20-17(22)13-26-18(23)12-21-19(24)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,22)(H,21,24)
InChIKeyIFUJIHVBVBJZFO-UHFFFAOYSA-N
XLogP1.28
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826702
[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833383
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 4215523
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 35576363
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345718
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
CID 56519933
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952
(4-methoxyphenyl) 2-benzamidoacetate
CID 23275662
methyl 4-[[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]methyl]benzoate
CID 7878196
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523165

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate (CID 2625536) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate is COc1ccc(CNC(=O)COC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is IFUJIHVBVBJZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-16-9-7-14(8-10-16)11-20-17(22)13-26-18(23)12-21-19(24)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,22)(H,21,24).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 356.38 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 2625536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).