2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide

C15H20N2O2 — CID 107863395

IUPAC2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
SMILESCCC(C#N)(CC)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-3-15(4-2,11-16)14(19)17-13(10-18)12-8-6-5-7-9-12/h5-9,13,18H,3-4,10H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyYWPIRFISOVMNPQ-ZDUSSCGKSA-N
MW260.34 g/mol
LogP2.17
Rot. Bonds6

About 2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide

2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide (PubChem CID 107863395) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
PubChem CID107863395
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
SMILESCCC(C#N)(CC)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-3-15(4-2,11-16)14(19)17-13(10-18)12-8-6-5-7-9-12/h5-9,13,18H,3-4,10H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyYWPIRFISOVMNPQ-ZDUSSCGKSA-N
XLogP2.17
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide
CID 107863380
2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide
CID 79812629
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide
CID 107863374
2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 59578769
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103837096
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
N-(2-hydroxy-1-phenylethyl)but-2-ynamide
CID 106741644
(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide
CID 25259507

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide (CID 107863395) is 2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide is CCC(C#N)(CC)C(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide?
The InChIKey is YWPIRFISOVMNPQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-15(4-2,11-16)14(19)17-13(10-18)12-8-6-5-7-9-12/h5-9,13,18H,3-4,10H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide?
2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide has a molecular weight of 260.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide is sourced from PubChem (CID 107863395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).