[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate

C19H21NO4 — CID 7834198

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-13(2)15-10-6-7-11-16(15)20-17(21)12-24-19(23)18(22)14-8-4-3-5-9-14/h3-11,13,18,22H,12H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyNFGOTCVHZJYKKW-SFHVURJKSA-N
MW327.38 g/mol
LogP3.03
Rot. Bonds6

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate (PubChem CID 7834198) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate
PubChem CID7834198
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-13(2)15-10-6-7-11-16(15)20-17(21)12-24-19(23)18(22)14-8-4-3-5-9-14/h3-11,13,18,22H,12H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyNFGOTCVHZJYKKW-SFHVURJKSA-N
XLogP3.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate
CID 2385789
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806692
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821391
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-methylbut-2-enoate
CID 2567186
[2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate
CID 2488778
2-(2-aminoethoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 79463489
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834241
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-hydroxy-2-phenylacetate
CID 16798756
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834192
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate (CID 7834198) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate is CC(C)c1ccccc1NC(=O)COC(=O)[C@@H](O)c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is NFGOTCVHZJYKKW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(2)15-10-6-7-11-16(15)20-17(21)12-24-19(23)18(22)14-8-4-3-5-9-14/h3-11,13,18,22H,12H2,1-2H3,(H,20,21)/t18-/m0/s1.
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 327.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 7834198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).