dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate

C25H21NO7 — CID 55456118

IUPACdimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OC(=O)C(NC(=O)c2ccccc2)c2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C25H21NO7/c1-31-23(28)18-13-19(24(29)32-2)15-20(14-18)33-25(30)21(16-9-5-3-6-10-16)26-22(27)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H,26,27)
InChIKeyWHWJWHHSQQRGEW-UHFFFAOYSA-N
MW447.44 g/mol
LogP3.34
Rot. Bonds7

About dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate

dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate (PubChem CID 55456118) has the molecular formula C25H21NO7 and a molecular weight of 447.44 g/mol. Its IUPAC name is dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate
PubChem CID55456118
Molecular FormulaC25H21NO7
Molecular Weight447.44 g/mol
Exact Mass447.13
IUPAC Namedimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OC(=O)C(NC(=O)c2ccccc2)c2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C25H21NO7/c1-31-23(28)18-13-19(24(29)32-2)15-20(14-18)33-25(30)21(16-9-5-3-6-10-16)26-22(27)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H,26,27)
InChIKeyWHWJWHHSQQRGEW-UHFFFAOYSA-N
XLogP3.34
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate
CID 2463089
dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate
CID 56582607
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
methyl 2-[(4-iodobenzoyl)amino]-2-phenylacetate
CID 62109861
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
CID 40541065
methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate
CID 62109863
methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate
CID 71580592
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
methyl 3-methylsulfonyloxy-5-(1-phenylethylcarbamoyl)benzoate
CID 91468652
5-O-methyl 1-O,3-O-diphenyl benzene-1,3,5-tricarboxylate
CID 71365622
dimethyl 5-[(E)-4-oxo-4-phenoxybut-2-enoyl]oxybenzene-1,3-dicarboxylate
CID 130409788

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate (CID 55456118) is dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate is COC(=O)c1cc(OC(=O)C(NC(=O)c2ccccc2)c2ccccc2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate?
The InChIKey is WHWJWHHSQQRGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO7/c1-31-23(28)18-13-19(24(29)32-2)15-20(14-18)33-25(30)21(16-9-5-3-6-10-16)26-22(27)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H,26,27).
What are the key properties of dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate?
dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate has a molecular weight of 447.44 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 55456118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).