(2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide

C17H20N2O2 — CID 58860957

IUPAC(2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide
SMILESCc1ccc(CC[C@](C)(O)C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-3-5-14(6-4-13)7-10-17(2,21)16(20)19-15-8-11-18-12-9-15/h3-6,8-9,11-12,21H,7,10H2,1-2H3,(H,18,19,20)/t17-/m0/s1
InChIKeyVYQXBWFEAQBDQV-KRWDZBQOSA-N
MW284.36 g/mol
LogP2.71
Rot. Bonds5

About (2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide

(2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide (PubChem CID 58860957) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide
PubChem CID58860957
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide
SMILESCc1ccc(CC[C@](C)(O)C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-3-5-14(6-4-13)7-10-17(2,21)16(20)19-15-8-11-18-12-9-15/h3-6,8-9,11-12,21H,7,10H2,1-2H3,(H,18,19,20)/t17-/m0/s1
InChIKeyVYQXBWFEAQBDQV-KRWDZBQOSA-N
XLogP2.71
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide?
The IUPAC name of (2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide (CID 58860957) is (2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide.
What is the SMILES notation for (2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide?
The canonical SMILES for (2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide is Cc1ccc(CC[C@](C)(O)C(=O)Nc2ccncc2)cc1.
What is the InChIKey of (2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide?
The InChIKey is VYQXBWFEAQBDQV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-3-5-14(6-4-13)7-10-17(2,21)16(20)19-15-8-11-18-12-9-15/h3-6,8-9,11-12,21H,7,10H2,1-2H3,(H,18,19,20)/t17-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide?
(2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide has a molecular weight of 284.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 58860957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).