(3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide

C19H28N2O3 — CID 99840830

IUPAC(3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide
SMILESCc1ccccc1C[C@@H](CO)NC(=O)C[C@H](C)N1CCCCC1=O
InChIInChI=1S/C19H28N2O3/c1-14-7-3-4-8-16(14)12-17(13-22)20-18(23)11-15(2)21-10-6-5-9-19(21)24/h3-4,7-8,15,17,22H,5-6,9-13H2,1-2H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyGSOQKINHSGGDKL-RDJZCZTQSA-N
MW332.44 g/mol
LogP1.81
Rot. Bonds7

About (3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide

(3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide (PubChem CID 99840830) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide
PubChem CID99840830
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide
SMILESCc1ccccc1C[C@@H](CO)NC(=O)C[C@H](C)N1CCCCC1=O
InChIInChI=1S/C19H28N2O3/c1-14-7-3-4-8-16(14)12-17(13-22)20-18(23)11-15(2)21-10-6-5-9-19(21)24/h3-4,7-8,15,17,22H,5-6,9-13H2,1-2H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyGSOQKINHSGGDKL-RDJZCZTQSA-N
XLogP1.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide
CID 124846044
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
(3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide
CID 99792785
1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 104550452
(3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide
CID 164638098
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 107861264
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 102673706
2-hydroxy-N-[2-(2-oxopiperidin-1-yl)propyl]benzamide
CID 167899513
(8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100666599
4-[[[1-hydroxy-3-(2-methylphenyl)propan-2-yl]amino]methyl]benzoic acid
CID 122033305
2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide
CID 95327251
3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid
CID 67361266

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of (3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide (CID 99840830) is (3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for (3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for (3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide is Cc1ccccc1C[C@@H](CO)NC(=O)C[C@H](C)N1CCCCC1=O.
What is the InChIKey of (3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is GSOQKINHSGGDKL-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-7-3-4-8-16(14)12-17(13-22)20-18(23)11-15(2)21-10-6-5-9-19(21)24/h3-4,7-8,15,17,22H,5-6,9-13H2,1-2H3,(H,20,23)/t15-,17-/m0/s1.
What are the key properties of (3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide?
(3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 332.44 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 99840830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).