N-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium

C16H21N2OY- — CID 59916292

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium
SMILESCc1ccc[c-]c1C(C)C(=O)NC(C)(C#N)C(C)C.[Y]
InChIInChI=1S/C16H21N2O.Y/c1-11(2)16(5,10-17)18-15(19)13(4)14-9-7-6-8-12(14)3;/h6-8,11,13H,1-5H3,(H,18,19);/q-1;
InChIKeyCAYUKHGEMOHZBP-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.95
Rot. Bonds4

About N-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium

N-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium (PubChem CID 59916292) has the molecular formula C16H21N2OY- and a molecular weight of 346.26 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium
PubChem CID59916292
Molecular FormulaC16H21N2OY-
Molecular Weight346.26 g/mol
Exact Mass346.07
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium
SMILESCc1ccc[c-]c1C(C)C(=O)NC(C)(C#N)C(C)C.[Y]
InChIInChI=1S/C16H21N2O.Y/c1-11(2)16(5,10-17)18-15(19)13(4)14-9-7-6-8-12(14)3;/h6-8,11,13H,1-5H3,(H,18,19);/q-1;
InChIKeyCAYUKHGEMOHZBP-UHFFFAOYSA-N
XLogP2.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide
CID 18700272
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[(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 30025363
[1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 3-methylfuran-2-carboxylate
CID 18128445
2-(2-chloro-4-methylphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 22104897
N-(2-cyano-3-methylbutan-2-yl)-2-(2,3,4-trichlorophenoxy)propanamide
CID 67880923
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide
CID 94183956
2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide
CID 112786159
(2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide
CID 39747498
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 41084376
2,3-dibromo-N-(2-cyano-3-methylbutan-2-yl)propanamide
CID 12945446
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylquinolin-2-yl)sulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium (CID 59916292) is N-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium is Cc1ccc[c-]c1C(C)C(=O)NC(C)(C#N)C(C)C.[Y].
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium?
The InChIKey is CAYUKHGEMOHZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N2O.Y/c1-11(2)16(5,10-17)18-15(19)13(4)14-9-7-6-8-12(14)3;/h6-8,11,13H,1-5H3,(H,18,19);/q-1;.
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium?
N-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium has a molecular weight of 346.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-(2-methylbenzene-6-id-1-yl)propanamide;yttrium is sourced from PubChem (CID 59916292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).