(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium

C18H20NO2Y- — CID 58930733

IUPAC(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium
SMILESCc1[c-]cc(NC(=O)[C@@](C)(O)Cc2ccc(C)cc2)cc1.[Y]
InChIInChI=1S/C18H20NO2.Y/c1-13-4-8-15(9-5-13)12-18(3,21)17(20)19-16-10-6-14(2)7-11-16;/h4-6,8-11,21H,12H2,1-3H3,(H,19,20);/q-1;/t18-;/m0./s1
InChIKeyIEPCJYNMNRXKQN-FERBBOLQSA-N
MW371.27 g/mol
LogP3.03
Rot. Bonds4

About (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium

(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium (PubChem CID 58930733) has the molecular formula C18H20NO2Y- and a molecular weight of 371.27 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium
PubChem CID58930733
Molecular FormulaC18H20NO2Y-
Molecular Weight371.27 g/mol
Exact Mass371.06
IUPAC Name(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium
SMILESCc1[c-]cc(NC(=O)[C@@](C)(O)Cc2ccc(C)cc2)cc1.[Y]
InChIInChI=1S/C18H20NO2.Y/c1-13-4-8-15(9-5-13)12-18(3,21)17(20)19-16-10-6-14(2)7-11-16;/h4-6,8-11,21H,12H2,1-3H3,(H,19,20);/q-1;/t18-;/m0./s1
InChIKeyIEPCJYNMNRXKQN-FERBBOLQSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-methyl-3-(4-methylphenyl)-N-naphthalen-2-ylpropanamide
CID 170552919
(2R)-2-methyl-3-[(4-methylbenzene-5-id-1-yl)amino]-1-(4-methylphenoxy)but-3-en-2-ol;yttrium
CID 161325761
2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 23596876
(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 58594527
2-hydroxy-2-methyl-N-(4-methylphenyl)-4-pyridin-2-ylbutanamide
CID 58860970
(2S)-4-(4-bromophenyl)-2-hydroxy-2-methyl-N-(4-nitrobenzene-5-id-1-yl)butanamide;yttrium
CID 58729198
N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 174484934
(2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 58619258
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 71046957
3,3-dimethyl-4-(4-methylphenyl)butan-2-one
CID 15767343
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
3-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 10320189

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium?
The IUPAC name of (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium (CID 58930733) is (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium.
What is the SMILES notation for (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium?
The canonical SMILES for (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium is Cc1[c-]cc(NC(=O)[C@@](C)(O)Cc2ccc(C)cc2)cc1.[Y].
What is the InChIKey of (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium?
The InChIKey is IEPCJYNMNRXKQN-FERBBOLQSA-N. The full InChI is InChI=1S/C18H20NO2.Y/c1-13-4-8-15(9-5-13)12-18(3,21)17(20)19-16-10-6-14(2)7-11-16;/h4-6,8-11,21H,12H2,1-3H3,(H,19,20);/q-1;/t18-;/m0./s1.
What are the key properties of (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium?
(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium has a molecular weight of 371.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-3-(4-methylphenyl)propanamide;yttrium is sourced from PubChem (CID 58930733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).