2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide

C14H21NO2 — CID 83031297

IUPAC2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-10(16)9-15-13(17)11-7-5-6-8-12(11)14(2,3)4/h5-8,10,16H,9H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyLWBSPXIDNWCSTG-SNVBAGLBSA-N
MW235.33 g/mol
LogP2.09
Rot. Bonds3

About 2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide

2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide (PubChem CID 83031297) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
PubChem CID83031297
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-10(16)9-15-13(17)11-7-5-6-8-12(11)14(2,3)4/h5-8,10,16H,9H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyLWBSPXIDNWCSTG-SNVBAGLBSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103820494
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
(2S)-4-[(2-tert-butylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107834398
2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240
2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 114344897
N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide
CID 43427741
N-(4-bromobutyl)-2-tert-butylbenzamide
CID 106846012
N-(6-aminohexyl)-2-tert-butylbenzamide
CID 107843835
N-(5-bromopentyl)-2-tert-butylbenzamide
CID 107321897
N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
CID 107156990
1-(2-tert-butylphenyl)-3-methylbutan-1-one
CID 114962409

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide?
The IUPAC name of 2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide (CID 83031297) is 2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide?
The canonical SMILES for 2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide is C[C@@H](O)CNC(=O)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide?
The InChIKey is LWBSPXIDNWCSTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(16)9-15-13(17)11-7-5-6-8-12(11)14(2,3)4/h5-8,10,16H,9H2,1-4H3,(H,15,17)/t10-/m1/s1.
What are the key properties of 2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide?
2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.09, 3 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)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 83031297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).