[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

C20H23NO4 — CID 7834192

IUPAC[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESCC[C@H](C)c1ccc(NC(=O)COC(=O)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-14(2)15-9-11-17(12-10-15)21-18(22)13-25-20(24)19(23)16-7-5-4-6-8-16/h4-12,14,19,23H,3,13H2,1-2H3,(H,21,22)/t14-,19-/m0/s1
InChIKeyHBNMFVDLACLDGP-LIRRHRJNSA-N
MW341.41 g/mol
LogP3.42
Rot. Bonds7

About [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (PubChem CID 7834192) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
PubChem CID7834192
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESCC[C@H](C)c1ccc(NC(=O)COC(=O)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-14(2)15-9-11-17(12-10-15)21-18(22)13-25-20(24)19(23)16-7-5-4-6-8-16/h4-12,14,19,23H,3,13H2,1-2H3,(H,21,22)/t14-,19-/m0/s1
InChIKeyHBNMFVDLACLDGP-LIRRHRJNSA-N
XLogP3.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833731
[2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834240
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8936732
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834262
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228166
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597820
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844626
[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834231
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] naphthalene-1-carboxylate
CID 7785327
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949966
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (CID 7834192) is [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is CC[C@H](C)c1ccc(NC(=O)COC(=O)[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is HBNMFVDLACLDGP-LIRRHRJNSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-14(2)15-9-11-17(12-10-15)21-18(22)13-25-20(24)19(23)16-7-5-4-6-8-16/h4-12,14,19,23H,3,13H2,1-2H3,(H,21,22)/t14-,19-/m0/s1.
What are the key properties of [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 341.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 7834192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).