[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate

C24H23NO6 — CID 2513216

IUPAC[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(NC(=O)[C@@H](OC(=O)c2c(OC)cccc2OC)c2ccccc2)c1
InChIInChI=1S/C24H23NO6/c1-28-18-12-7-11-17(15-18)25-23(26)22(16-9-5-4-6-10-16)31-24(27)21-19(29-2)13-8-14-20(21)30-3/h4-15,22H,1-3H3,(H,25,26)/t22-/m0/s1
InChIKeyBZYDMFUDZKSTEC-QFIPXVFZSA-N
MW421.45 g/mol
LogP4.25
Rot. Bonds8

About [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate

[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate (PubChem CID 2513216) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
PubChem CID2513216
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(NC(=O)[C@@H](OC(=O)c2c(OC)cccc2OC)c2ccccc2)c1
InChIInChI=1S/C24H23NO6/c1-28-18-12-7-11-17(15-18)25-23(26)22(16-9-5-4-6-10-16)31-24(27)21-19(29-2)13-8-14-20(21)30-3/h4-15,22H,1-3H3,(H,25,26)/t22-/m0/s1
InChIKeyBZYDMFUDZKSTEC-QFIPXVFZSA-N
XLogP4.25
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 2515095
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,3-dimethoxybenzoate
CID 2515766
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-methoxynaphthalene-2-carboxylate
CID 4104730
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate
CID 42901130
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-chloro-6-fluorobenzoate
CID 4802517
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-methylbenzoate
CID 4803163
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate
CID 2624663
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912825
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2342352
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 7981048
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(methylsulfamoyl)benzoate
CID 2441225
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 42014676

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate?
The IUPAC name of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate (CID 2513216) is [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate.
What is the SMILES notation for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate?
The canonical SMILES for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate is COc1cccc(NC(=O)[C@@H](OC(=O)c2c(OC)cccc2OC)c2ccccc2)c1.
What is the InChIKey of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate?
The InChIKey is BZYDMFUDZKSTEC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23NO6/c1-28-18-12-7-11-17(15-18)25-23(26)22(16-9-5-4-6-10-16)31-24(27)21-19(29-2)13-8-14-20(21)30-3/h4-15,22H,1-3H3,(H,25,26)/t22-/m0/s1.
What are the key properties of [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate?
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate has a molecular weight of 421.45 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate is sourced from PubChem (CID 2513216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).