N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide

C13H16N2O — CID 23582927

IUPACN-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-10(2)13(3,9-14)15-12(16)11-7-5-4-6-8-11/h4-8,10H,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyRRVGUGYNGPSBMM-CYBMUJFWSA-N
MW216.28 g/mol
LogP2.35
Rot. Bonds3

About N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide

N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide (PubChem CID 23582927) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide
PubChem CID23582927
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-10(2)13(3,9-14)15-12(16)11-7-5-4-6-8-11/h4-8,10H,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyRRVGUGYNGPSBMM-CYBMUJFWSA-N
XLogP2.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide
CID 39963762
N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide
CID 39963760
[1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate
CID 42901388
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide
CID 39963779
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
[(2S)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate
CID 30031185
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132199
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 41084376
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7265853
2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 43015934
N-(2-cyanopropan-2-yloxy)benzamide
CID 154461100

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide?
The IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide (CID 23582927) is N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide is CC(C)[C@@](C)(C#N)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide?
The InChIKey is RRVGUGYNGPSBMM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(2)13(3,9-14)15-12(16)11-7-5-4-6-8-11/h4-8,10H,1-3H3,(H,15,16)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide?
N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide has a molecular weight of 216.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 23582927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).