methyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate

C21H22N2O7 — CID 3276967

IUPACmethyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CNC(=O)CNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H22N2O7/c1-28-17-9-7-15(8-10-17)20(26)23-11-18(24)22-12-19(25)30-13-14-3-5-16(6-4-14)21(27)29-2/h3-10H,11-13H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyYFRKVUAJLYETNC-UHFFFAOYSA-N
MW414.41 g/mol
LogP1.07
Rot. Bonds9

About methyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate

methyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate (PubChem CID 3276967) has the molecular formula C21H22N2O7 and a molecular weight of 414.41 g/mol. Its IUPAC name is methyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate
PubChem CID3276967
Molecular FormulaC21H22N2O7
Molecular Weight414.41 g/mol
Exact Mass414.14
IUPAC Namemethyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CNC(=O)CNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H22N2O7/c1-28-17-9-7-15(8-10-17)20(26)23-11-18(24)22-12-19(25)30-13-14-3-5-16(6-4-14)21(27)29-2/h3-10H,11-13H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyYFRKVUAJLYETNC-UHFFFAOYSA-N
XLogP1.07
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate (CID 3276967) is methyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate is COC(=O)c1ccc(COC(=O)CNC(=O)CNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate?
The InChIKey is YFRKVUAJLYETNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O7/c1-28-17-9-7-15(8-10-17)20(26)23-11-18(24)22-12-19(25)30-13-14-3-5-16(6-4-14)21(27)29-2/h3-10H,11-13H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of methyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate?
methyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate has a molecular weight of 414.41 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetyl]oxymethyl]benzoate is sourced from PubChem (CID 3276967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).