(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide

C23H31NO2 — CID 25259507

IUPAC(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide
SMILESCC(C)(C)CC[C@@](C)(C(=O)N[C@H](CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-22(2,3)15-16-23(4,19-13-9-6-10-14-19)21(26)24-20(17-25)18-11-7-5-8-12-18/h5-14,20,25H,15-17H2,1-4H3,(H,24,26)/t20-,23-/m1/s1
InChIKeyQVYOGYRPTVNDBF-NFBKMPQASA-N
MW353.51 g/mol
LogP4.62
Rot. Bonds7

About (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide

(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide (PubChem CID 25259507) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide
PubChem CID25259507
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide
SMILESCC(C)(C)CC[C@@](C)(C(=O)N[C@H](CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-22(2,3)15-16-23(4,19-13-9-6-10-14-19)21(26)24-20(17-25)18-11-7-5-8-12-18/h5-14,20,25H,15-17H2,1-4H3,(H,24,26)/t20-,23-/m1/s1
InChIKeyQVYOGYRPTVNDBF-NFBKMPQASA-N
XLogP4.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide
CID 68873088
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide
CID 139254557
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide
CID 79812629
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 107862713
N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 63182177
tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 101461135
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide
CID 107863380
2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863395
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide?
The IUPAC name of (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide (CID 25259507) is (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide.
What is the SMILES notation for (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide?
The canonical SMILES for (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide is CC(C)(C)CC[C@@](C)(C(=O)N[C@H](CO)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide?
The InChIKey is QVYOGYRPTVNDBF-NFBKMPQASA-N. The full InChI is InChI=1S/C23H31NO2/c1-22(2,3)15-16-23(4,19-13-9-6-10-14-19)21(26)24-20(17-25)18-11-7-5-8-12-18/h5-14,20,25H,15-17H2,1-4H3,(H,24,26)/t20-,23-/m1/s1.
What are the key properties of (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide?
(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide has a molecular weight of 353.51 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide is sourced from PubChem (CID 25259507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).