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

C24H21NO5 — CID 2364636

IUPACmethyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H21NO5/c1-29-24(28)21-9-7-17(8-10-21)16-30-22(26)15-25-23(27)20-13-11-19(12-14-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyFGKFOVMSCCFSMG-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.61
Rot. Bonds7

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

methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate (PubChem CID 2364636) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate
PubChem CID2364636
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Namemethyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H21NO5/c1-29-24(28)21-9-7-17(8-10-21)16-30-22(26)15-25-23(27)20-13-11-19(12-14-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyFGKFOVMSCCFSMG-UHFFFAOYSA-N
XLogP3.61
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate (CID 2364636) is methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate is COC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate?
The InChIKey is FGKFOVMSCCFSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-29-24(28)21-9-7-17(8-10-21)16-30-22(26)15-25-23(27)20-13-11-19(12-14-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,25,27).
What are the key properties of methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate?
methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate has a molecular weight of 403.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate is sourced from PubChem (CID 2364636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).