N-(4-hydroxy-3-methylbutan-2-yl)benzamide

C12H17NO2 — CID 112700980

IUPACN-(4-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(CO)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(8-14)10(2)13-12(15)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H,13,15)
InChIKeyTWQYRHMHHTUSTJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.43
Rot. Bonds4

About N-(4-hydroxy-3-methylbutan-2-yl)benzamide

N-(4-hydroxy-3-methylbutan-2-yl)benzamide (PubChem CID 112700980) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)benzamide
PubChem CID112700980
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(CO)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(8-14)10(2)13-12(15)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H,13,15)
InChIKeyTWQYRHMHHTUSTJ-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-3-methylbutan-2-yl)-2-sulfanylbenzamide
CID 107035471
N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 65315325
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
ethyl (2S,3R)-3-benzamido-2-methylbutanoate
CID 162414540
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-(1-chloropropan-2-yl)benzamide
CID 3683093
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
4-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylbenzamide
CID 107035469
3-bromo-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 99636875

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)benzamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)benzamide (CID 112700980) is N-(4-hydroxy-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)benzamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)benzamide is CC(CO)C(C)NC(=O)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)benzamide?
The InChIKey is TWQYRHMHHTUSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(8-14)10(2)13-12(15)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H,13,15).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)benzamide?
N-(4-hydroxy-3-methylbutan-2-yl)benzamide has a molecular weight of 207.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 112700980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).