(2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide

C14H21NO2 — CID 10014307

IUPAC(2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide
SMILESCCN(CC)C(=O)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)14(17)11(3)13(16)12-9-7-6-8-10-12/h6-11,13,16H,4-5H2,1-3H3/t11-,13+/m0/s1
InChIKeyCPXVRHRNTWDBHT-WCQYABFASA-N
MW235.33 g/mol
LogP2.22
Rot. Bonds5

About (2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide

(2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide (PubChem CID 10014307) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide
PubChem CID10014307
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide
SMILESCCN(CC)C(=O)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)14(17)11(3)13(16)12-9-7-6-8-10-12/h6-11,13,16H,4-5H2,1-3H3/t11-,13+/m0/s1
InChIKeyCPXVRHRNTWDBHT-WCQYABFASA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide?
The IUPAC name of (2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide (CID 10014307) is (2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide?
The canonical SMILES for (2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide is CCN(CC)C(=O)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide?
The InChIKey is CPXVRHRNTWDBHT-WCQYABFASA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15(5-2)14(17)11(3)13(16)12-9-7-6-8-10-12/h6-11,13,16H,4-5H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of (2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide?
(2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,N-diethyl-3-hydroxy-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 10014307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).