[2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate

C22H19NO3 — CID 2336019

IUPAC[2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate
SMILESCN(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H19NO3/c1-23(20-10-6-3-7-11-20)21(24)16-26-22(25)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyIKQBRIKMSBIALN-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.17
Rot. Bonds5

About [2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate

[2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate (PubChem CID 2336019) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate
PubChem CID2336019
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate
SMILESCN(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H19NO3/c1-23(20-10-6-3-7-11-20)21(24)16-26-22(25)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyIKQBRIKMSBIALN-UHFFFAOYSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate (CID 2336019) is [2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate is CN(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate?
The InChIKey is IKQBRIKMSBIALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-23(20-10-6-3-7-11-20)21(24)16-26-22(25)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15H,16H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate?
[2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate has a molecular weight of 345.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 4-phenylbenzoate is sourced from PubChem (CID 2336019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).