[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate

C24H23NO5 — CID 7506876

IUPAC[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
SMILESCCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C24H23NO5/c1-3-29-21-12-8-7-11-20(21)25-23(26)22(17-9-5-4-6-10-17)30-24(27)18-13-15-19(28-2)16-14-18/h4-16,22H,3H2,1-2H3,(H,25,26)/t22-/m0/s1
InChIKeyVLWKBUWLSUESIJ-QFIPXVFZSA-N
MW405.45 g/mol
LogP4.63
Rot. Bonds8

About [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate

[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate (PubChem CID 7506876) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
PubChem CID7506876
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
SMILESCCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C24H23NO5/c1-3-29-21-12-8-7-11-20(21)25-23(26)22(17-9-5-4-6-10-17)30-24(27)18-13-15-19(28-2)16-14-18/h4-16,22H,3H2,1-2H3,(H,25,26)/t22-/m0/s1
InChIKeyVLWKBUWLSUESIJ-QFIPXVFZSA-N
XLogP4.63
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-butoxybenzoate
CID 3259841
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(hydroxymethyl)benzoate
CID 2537822
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(methoxymethyl)benzoate
CID 7587707
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-formylbenzoate
CID 2504162
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate
CID 55476256
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2669887
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 30826254
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2390960
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)benzoate
CID 18197155
4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide
CID 8607962
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 16507798
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 1,3-benzodioxole-5-carboxylate
CID 2556486

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate?
The IUPAC name of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate (CID 7506876) is [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate.
What is the SMILES notation for [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate?
The canonical SMILES for [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate is CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate?
The InChIKey is VLWKBUWLSUESIJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23NO5/c1-3-29-21-12-8-7-11-20(21)25-23(26)22(17-9-5-4-6-10-17)30-24(27)18-13-15-19(28-2)16-14-18/h4-16,22H,3H2,1-2H3,(H,25,26)/t22-/m0/s1.
What are the key properties of [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate?
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate has a molecular weight of 405.45 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate is sourced from PubChem (CID 7506876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).