2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium

C17H23N2O2Y- — CID 59696826

IUPAC2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium
SMILESCc1[c-]cc(C)c(C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C)c1.[Y]
InChIInChI=1S/C17H23N2O2.Y/c1-11-7-8-12(2)15(10-11)16(20)18-14(4)17(21)19-9-5-6-13(19)3;/h8,10,13-14H,5-6,9H2,1-4H3,(H,18,20);/q-1;/t13-,14+;/m1./s1
InChIKeyJKARXHGPZQUVKH-DFQHDRSWSA-N
MW376.29 g/mol
LogP2.23
Rot. Bonds3

About 2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium

2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium (PubChem CID 59696826) has the molecular formula C17H23N2O2Y- and a molecular weight of 376.29 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium
PubChem CID59696826
Molecular FormulaC17H23N2O2Y-
Molecular Weight376.29 g/mol
Exact Mass376.08
IUPAC Name2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium
SMILESCc1[c-]cc(C)c(C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C)c1.[Y]
InChIInChI=1S/C17H23N2O2.Y/c1-11-7-8-12(2)15(10-11)16(20)18-14(4)17(21)19-9-5-6-13(19)3;/h8,10,13-14H,5-6,9H2,1-4H3,(H,18,20);/q-1;/t13-,14+;/m1./s1
InChIKeyJKARXHGPZQUVKH-DFQHDRSWSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium?
The IUPAC name of 2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium (CID 59696826) is 2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium.
What is the SMILES notation for 2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium?
The canonical SMILES for 2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium is Cc1[c-]cc(C)c(C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C)c1.[Y].
What is the InChIKey of 2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium?
The InChIKey is JKARXHGPZQUVKH-DFQHDRSWSA-N. The full InChI is InChI=1S/C17H23N2O2.Y/c1-11-7-8-12(2)15(10-11)16(20)18-14(4)17(21)19-9-5-6-13(19)3;/h8,10,13-14H,5-6,9H2,1-4H3,(H,18,20);/q-1;/t13-,14+;/m1./s1.
What are the key properties of 2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium?
2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium has a molecular weight of 376.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]benzene-4-ide-1-carboxamide;yttrium is sourced from PubChem (CID 59696826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).