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

C20H25NO3 — CID 10903545

IUPAC(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
SMILESC[C@@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-14(18(22)16-10-6-4-7-11-16)20(24)21(3)15(2)19(23)17-12-8-5-9-13-17/h4-15,18-19,22-23H,1-3H3/t14-,15+,18-,19-/m1/s1
InChIKeyAYTOPFQIPXXNSH-WTLGNFPFSA-N
MW327.42 g/mol
LogP2.94
Rot. Bonds6

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

(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide (PubChem CID 10903545) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
PubChem CID10903545
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
SMILESC[C@@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-14(18(22)16-10-6-4-7-11-16)20(24)21(3)15(2)19(23)17-12-8-5-9-13-17/h4-15,18-19,22-23H,1-3H3/t14-,15+,18-,19-/m1/s1
InChIKeyAYTOPFQIPXXNSH-WTLGNFPFSA-N
XLogP2.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
CID 10045162
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
CID 11143662
(+/-)-Clausenamide
CID 5315946
Secoclausenamide
CID 10424832
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]dodecanamide
CID 11046702
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
N-(2-Hydroxy-1-methyl-2-phenylethyl)-N-methylacetamide
CID 27869
1-Cyclohexyl-3-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-propanone
CID 51719
Secodemethylclausenamide
CID 70378439

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
The IUPAC name of (2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide (CID 10903545) is (2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for (2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for (2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide is C[C@@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
The InChIKey is AYTOPFQIPXXNSH-WTLGNFPFSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14(18(22)16-10-6-4-7-11-16)20(24)21(3)15(2)19(23)17-12-8-5-9-13-17/h4-15,18-19,22-23H,1-3H3/t14-,15+,18-,19-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide?
(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide has a molecular weight of 327.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 10903545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).