ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate

C22H26N2O5 — CID 113164614

IUPACethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN(CCc2ccccc2OC)C(C)=O)cc1
InChIInChI=1S/C22H26N2O5/c1-4-29-22(27)18-9-11-19(12-10-18)23-21(26)15-24(16(2)25)14-13-17-7-5-6-8-20(17)28-3/h5-12H,4,13-15H2,1-3H3,(H,23,26)
InChIKeyIDITWFONCINNMT-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.90
Rot. Bonds9

About ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate

ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate (PubChem CID 113164614) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
PubChem CID113164614
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Nameethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN(CCc2ccccc2OC)C(C)=O)cc1
InChIInChI=1S/C22H26N2O5/c1-4-29-22(27)18-9-11-19(12-10-18)23-21(26)15-24(16(2)25)14-13-17-7-5-6-8-20(17)28-3/h5-12H,4,13-15H2,1-3H3,(H,23,26)
InChIKeyIDITWFONCINNMT-UHFFFAOYSA-N
XLogP2.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164552
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide
CID 113164626
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 113164550
ethyl 4-[3-[acetyl-[(2-methylphenyl)methyl]amino]propanoylamino]benzoate
CID 113118522
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113164628
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113164557
ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate
CID 109022233
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164592
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113164597
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 113162953
ethyl 4-[(2-methoxyphenyl)methylamino]benzoate
CID 2238269
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-cyclopropylacetamide
CID 113164478

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate (CID 113164614) is ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CN(CCc2ccccc2OC)C(C)=O)cc1.
What is the InChIKey of ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate?
The InChIKey is IDITWFONCINNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-4-29-22(27)18-9-11-19(12-10-18)23-21(26)15-24(16(2)25)14-13-17-7-5-6-8-20(17)28-3/h5-12H,4,13-15H2,1-3H3,(H,23,26).
What are the key properties of ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate?
ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate has a molecular weight of 398.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate is sourced from PubChem (CID 113164614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).