[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate

C20H23NO4 — CID 7485747

IUPAC[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate
SMILESCC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccccc1OC
InChIInChI=1S/C20H23NO4/c1-4-14(2)15-9-5-7-11-17(15)21-19(22)13-25-20(23)16-10-6-8-12-18(16)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyNAETXEZGTRAXHB-CQSZACIVSA-N
MW341.41 g/mol
LogP4.00
Rot. Bonds7

About [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate

[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate (PubChem CID 7485747) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate
PubChem CID7485747
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate
SMILESCC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccccc1OC
InChIInChI=1S/C20H23NO4/c1-4-14(2)15-9-5-7-11-17(15)21-19(22)13-25-20(23)16-10-6-8-12-18(16)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyNAETXEZGTRAXHB-CQSZACIVSA-N
XLogP4.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
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-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2496453
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811923
N-(2-butan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3725070
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7553384
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 959869
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 2566413
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate
CID 2505093
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649135
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-tert-butylbenzoate
CID 2365150
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-tert-butylbenzoate
CID 2365149
[2-(2-butan-2-ylanilino)-2-oxoethyl] anthracene-9-carboxylate
CID 3410069

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate (CID 7485747) is [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate is CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccccc1OC.
What is the InChIKey of [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is NAETXEZGTRAXHB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-14(2)15-9-5-7-11-17(15)21-19(22)13-25-20(23)16-10-6-8-12-18(16)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22)/t14-/m1/s1.
What are the key properties of [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate?
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 341.41 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 7485747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).