[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate

C23H21NO5 — CID 7834262

IUPAC[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
SMILESCc1ccc(Oc2ccc(NC(=O)COC(=O)[C@H](O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-16-7-11-19(12-8-16)29-20-13-9-18(10-14-20)24-21(25)15-28-23(27)22(26)17-5-3-2-4-6-17/h2-14,22,26H,15H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyYLLUXSJWJPRXSV-JOCHJYFZSA-N
MW391.42 g/mol
LogP4.00
Rot. Bonds7

About [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate

[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate (PubChem CID 7834262) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
PubChem CID7834262
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
SMILESCc1ccc(Oc2ccc(NC(=O)COC(=O)[C@H](O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-16-7-11-19(12-8-16)29-20-13-9-18(10-14-20)24-21(25)15-28-23(27)22(26)17-5-3-2-4-6-17/h2-14,22,26H,15H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyYLLUXSJWJPRXSV-JOCHJYFZSA-N
XLogP4.00
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834192
[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 4847422
[2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834240
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-hydroxy-2-phenylacetate
CID 16798756
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834231
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834241
3-acetamido-N-[4-(4-methylphenoxy)phenyl]-3-phenylpropanamide
CID 24636973
N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 23904816
[2-oxo-2-(4-phenoxyanilino)ethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2346308
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] 4-aminobenzoate
CID 7781322
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 8578956

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate?
The IUPAC name of [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate (CID 7834262) is [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate is Cc1ccc(Oc2ccc(NC(=O)COC(=O)[C@H](O)c3ccccc3)cc2)cc1.
What is the InChIKey of [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate?
The InChIKey is YLLUXSJWJPRXSV-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21NO5/c1-16-7-11-19(12-8-16)29-20-13-9-18(10-14-20)24-21(25)15-28-23(27)22(26)17-5-3-2-4-6-17/h2-14,22,26H,15H2,1H3,(H,24,25)/t22-/m1/s1.
What are the key properties of [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate?
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate has a molecular weight of 391.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 7834262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).