[2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate

C29H23NO5 — CID 5253310

IUPAC[2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate
SMILESCOc1cccc(C(=O)COC(=O)c2ccccc2C(=O)N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H23NO5/c1-34-24-16-10-11-21(19-24)27(31)20-35-29(33)26-18-9-8-17-25(26)28(32)30(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-19H,20H2,1H3
InChIKeyKWNJTMDGGURSLO-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.71
Rot. Bonds8

About [2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate

[2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate (PubChem CID 5253310) has the molecular formula C29H23NO5 and a molecular weight of 465.51 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate
PubChem CID5253310
Molecular FormulaC29H23NO5
Molecular Weight465.51 g/mol
Exact Mass465.16
IUPAC Name[2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate
SMILESCOc1cccc(C(=O)COC(=O)c2ccccc2C(=O)N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H23NO5/c1-34-24-16-10-11-21(19-24)27(31)20-35-29(33)26-18-9-8-17-25(26)28(32)30(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-19H,20H2,1H3
InChIKeyKWNJTMDGGURSLO-UHFFFAOYSA-N
XLogP5.71
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 1217734
3-methoxy-N-(4-methoxyphenyl)-N-phenylbenzamide
CID 23582269
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
[2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 27535148
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424
methyl 2-(diphenylcarbamoyl)benzoate
CID 785922
[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18283692
[2-(3-methoxyphenyl)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 41237601
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate
CID 98278612
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methoxybenzoate
CID 16522195

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate?
The IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate (CID 5253310) is [2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate.
What is the SMILES notation for [2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate?
The canonical SMILES for [2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate is COc1cccc(C(=O)COC(=O)c2ccccc2C(=O)N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate?
The InChIKey is KWNJTMDGGURSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO5/c1-34-24-16-10-11-21(19-24)27(31)20-35-29(33)26-18-9-8-17-25(26)28(32)30(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-19H,20H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate?
[2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate has a molecular weight of 465.51 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-2-oxoethyl] 2-(diphenylcarbamoyl)benzoate is sourced from PubChem (CID 5253310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).