(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide

C15H23NO3 — CID 99787425

IUPAC(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide
SMILESCC(C)[C@@H](CO)C(=O)NC[C@](C)(O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-11(2)13(9-17)14(18)16-10-15(3,19)12-7-5-4-6-8-12/h4-8,11,13,17,19H,9-10H2,1-3H3,(H,16,18)/t13-,15+/m1/s1
InChIKeyAKFSOORCDJGFSP-HIFRSBDPSA-N
MW265.35 g/mol
LogP1.27
Rot. Bonds6

About (2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide

(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide (PubChem CID 99787425) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide
PubChem CID99787425
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide
SMILESCC(C)[C@@H](CO)C(=O)NC[C@](C)(O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-11(2)13(9-17)14(18)16-10-15(3,19)12-7-5-4-6-8-12/h4-8,11,13,17,19H,9-10H2,1-3H3,(H,16,18)/t13-,15+/m1/s1
InChIKeyAKFSOORCDJGFSP-HIFRSBDPSA-N
XLogP1.27
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide
CID 111334765
(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide
CID 95769505
N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide
CID 110021066
2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187443
N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide
CID 111477609
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate
CID 62375494
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
CID 111825050
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
CID 95367999
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
CID 111334880
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide (CID 99787425) is (2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide is CC(C)[C@@H](CO)C(=O)NC[C@](C)(O)c1ccccc1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide?
The InChIKey is AKFSOORCDJGFSP-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)13(9-17)14(18)16-10-15(3,19)12-7-5-4-6-8-12/h4-8,11,13,17,19H,9-10H2,1-3H3,(H,16,18)/t13-,15+/m1/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide?
(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide has a molecular weight of 265.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide is sourced from PubChem (CID 99787425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).