2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide

C15H23NO2 — CID 113351911

IUPAC2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C15H23NO2/c1-5-11(10-17)16-14(18)12-8-6-7-9-13(12)15(2,3)4/h6-9,11,17H,5,10H2,1-4H3,(H,16,18)/t11-/m1/s1
InChIKeyQRNUHPDNEVXFHA-LLVKDONJSA-N
MW249.35 g/mol
LogP2.48
Rot. Bonds4

About 2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide

2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide (PubChem CID 113351911) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide
PubChem CID113351911
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C15H23NO2/c1-5-11(10-17)16-14(18)12-8-6-7-9-13(12)15(2,3)4/h6-9,11,17H,5,10H2,1-4H3,(H,16,18)/t11-/m1/s1
InChIKeyQRNUHPDNEVXFHA-LLVKDONJSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide
CID 43393208
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
CID 107222500
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 105342980
N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide
CID 62651047
N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3613944
8-[[(2R)-1-hydroxybutan-2-yl]carbamoyl]naphthalene-1-carboxylic acid
CID 107214770
5-[(2-tert-butylbenzoyl)amino]hexanoic acid
CID 82845775
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 2324672
N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43393191
2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031297
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide (CID 113351911) is 2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide is CC[C@H](CO)NC(=O)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is QRNUHPDNEVXFHA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-11(10-17)16-14(18)12-8-6-7-9-13(12)15(2,3)4/h6-9,11,17H,5,10H2,1-4H3,(H,16,18)/t11-/m1/s1.
What are the key properties of 2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 249.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 113351911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).