(2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide

C20H25NO2Se — CID 10739144

IUPAC(2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide
SMILESCC(C)(C)NC(=O)[C@H](C[Se]c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H25NO2Se/c1-20(2,3)21-19(23)17(14-24-16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,17-18,22H,14H2,1-3H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyYTUORDPPHNJLAE-MSOLQXFVSA-N
MW390.39 g/mol
LogP2.70
Rot. Bonds6

About (2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide

(2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide (PubChem CID 10739144) has the molecular formula C20H25NO2Se and a molecular weight of 390.39 g/mol. Its IUPAC name is (2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide.

Molecular Properties

Compound Name(2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide
PubChem CID10739144
Molecular FormulaC20H25NO2Se
Molecular Weight390.39 g/mol
Exact Mass391.11
IUPAC Name(2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide
SMILESCC(C)(C)NC(=O)[C@H](C[Se]c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H25NO2Se/c1-20(2,3)21-19(23)17(14-24-16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,17-18,22H,14H2,1-3H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyYTUORDPPHNJLAE-MSOLQXFVSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[Hydroxy(phenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-one
CID 2828727
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3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide
CID 44560510
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CID 44560511
(3R)-3-hydroxy-N-methyl-3-phenylpropanamide
CID 10986856
(3S)-3-Hydroxy-N-methyl-3-phenylpropanamide
CID 12629736
3-Hydroxy-2-methyl-3-phenylpropanamide
CID 15183457
(2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide
CID 10014307
(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
CID 10903545
N-tert-butyl-2-hydroxy-2-phenylacetamide
CID 10420557

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide?
The IUPAC name of (2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide (CID 10739144) is (2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide.
What is the SMILES notation for (2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide?
The canonical SMILES for (2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide is CC(C)(C)NC(=O)[C@H](C[Se]c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide?
The InChIKey is YTUORDPPHNJLAE-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H25NO2Se/c1-20(2,3)21-19(23)17(14-24-16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,17-18,22H,14H2,1-3H3,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of (2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide?
(2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide has a molecular weight of 390.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide is sourced from PubChem (CID 10739144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).