methyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate

C22H19NO6 — CID 2571486

IUPACmethyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccccc2NC(=O)Cc2ccccc2)o1
InChIInChI=1S/C22H19NO6/c1-27-22(26)19-12-11-16(29-19)14-28-21(25)17-9-5-6-10-18(17)23-20(24)13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyYNUYHWHDPDNSNK-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.60
Rot. Bonds7

About methyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate

methyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate (PubChem CID 2571486) has the molecular formula C22H19NO6 and a molecular weight of 393.40 g/mol. Its IUPAC name is methyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate
PubChem CID2571486
Molecular FormulaC22H19NO6
Molecular Weight393.40 g/mol
Exact Mass393.12
IUPAC Namemethyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccccc2NC(=O)Cc2ccccc2)o1
InChIInChI=1S/C22H19NO6/c1-27-22(26)19-12-11-16(29-19)14-28-21(25)17-9-5-6-10-18(17)23-20(24)13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyYNUYHWHDPDNSNK-UHFFFAOYSA-N
XLogP3.60
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate (CID 2571486) is methyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)c2ccccc2NC(=O)Cc2ccccc2)o1.
What is the InChIKey of methyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate?
The InChIKey is YNUYHWHDPDNSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO6/c1-27-22(26)19-12-11-16(29-19)14-28-21(25)17-9-5-6-10-18(17)23-20(24)13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,23,24).
What are the key properties of methyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate has a molecular weight of 393.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2571486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).