[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate

C20H23NO4 — CID 2496453

IUPAC[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cccc(C)c1O
InChIInChI=1S/C20H23NO4/c1-4-13(2)15-9-5-6-11-17(15)21-18(22)12-25-20(24)16-10-7-8-14(3)19(16)23/h5-11,13,23H,4,12H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyHUOKVXWYEUUAMJ-ZDUSSCGKSA-N
MW341.41 g/mol
LogP4.01
Rot. Bonds6

About [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate

[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 2496453) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID2496453
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cccc(C)c1O
InChIInChI=1S/C20H23NO4/c1-4-13(2)15-9-5-6-11-17(15)21-18(22)12-25-20(24)16-10-7-8-14(3)19(16)23/h5-11,13,23H,4,12H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyHUOKVXWYEUUAMJ-ZDUSSCGKSA-N
XLogP4.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7671256
[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840630
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate
CID 7485747
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7553384
[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578232
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849901
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,3-dimethylanilino)benzoate
CID 7752683
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578343
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2652348
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484632
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649135
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-tert-butylbenzoate
CID 2365149

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 2496453) is [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate is CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cccc(C)c1O.
What is the InChIKey of [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is HUOKVXWYEUUAMJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-13(2)15-9-5-6-11-17(15)21-18(22)12-25-20(24)16-10-7-8-14(3)19(16)23/h5-11,13,23H,4,12H2,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 341.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 2496453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).