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

C18H21N3O3 — CID 58860952

IUPAC(2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide
SMILESCC(=O)Nc1ccc(CC[C@](C)(O)C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)20-15-5-3-14(4-6-15)7-10-18(2,24)17(23)21-16-8-11-19-12-9-16/h3-6,8-9,11-12,24H,7,10H2,1-2H3,(H,20,22)(H,19,21,23)/t18-/m0/s1
InChIKeyFHNRJKSSVJEQEU-SFHVURJKSA-N
MW327.38 g/mol
LogP2.36
Rot. Bonds6

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

(2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide (PubChem CID 58860952) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name(2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide
PubChem CID58860952
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide
SMILESCC(=O)Nc1ccc(CC[C@](C)(O)C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)20-15-5-3-14(4-6-15)7-10-18(2,24)17(23)21-16-8-11-19-12-9-16/h3-6,8-9,11-12,24H,7,10H2,1-2H3,(H,20,22)(H,19,21,23)/t18-/m0/s1
InChIKeyFHNRJKSSVJEQEU-SFHVURJKSA-N
XLogP2.36
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide?
The IUPAC name of (2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide (CID 58860952) is (2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide.
What is the SMILES notation for (2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide?
The canonical SMILES for (2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide is CC(=O)Nc1ccc(CC[C@](C)(O)C(=O)Nc2ccncc2)cc1.
What is the InChIKey of (2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide?
The InChIKey is FHNRJKSSVJEQEU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(22)20-15-5-3-14(4-6-15)7-10-18(2,24)17(23)21-16-8-11-19-12-9-16/h3-6,8-9,11-12,24H,7,10H2,1-2H3,(H,20,22)(H,19,21,23)/t18-/m0/s1.
What are the key properties of (2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide?
(2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide has a molecular weight of 327.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 58860952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).