(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide

C20H25NO2 — CID 102518742

IUPAC(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
SMILESC[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-15(14-17-10-6-4-7-11-17)20(23)21(3)16(2)19(22)18-12-8-5-9-13-18/h4-13,15-16,19,22H,14H2,1-3H3/t15-,16-,19+/m0/s1
InChIKeyYBSOZNKAYZZSLZ-TXPKVOOTSA-N
MW311.43 g/mol
LogP3.45
Rot. Bonds6

About (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide

(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide (PubChem CID 102518742) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
PubChem CID102518742
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
SMILESC[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-15(14-17-10-6-4-7-11-17)20(23)21(3)16(2)19(22)18-12-8-5-9-13-18/h4-13,15-16,19,22H,14H2,1-3H3/t15-,16-,19+/m0/s1
InChIKeyYBSOZNKAYZZSLZ-TXPKVOOTSA-N
XLogP3.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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DL-threo-PDMP
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
The IUPAC name of (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide (CID 102518742) is (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide is C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
The InChIKey is YBSOZNKAYZZSLZ-TXPKVOOTSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(14-17-10-6-4-7-11-17)20(23)21(3)16(2)19(22)18-12-8-5-9-13-18/h4-13,15-16,19,22H,14H2,1-3H3/t15-,16-,19+/m0/s1.
What are the key properties of (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 102518742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).