2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide

C17H24N2O2 — CID 107863380

IUPAC2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-3-10-17(13-18,11-4-2)16(21)19-15(12-20)14-8-6-5-7-9-14/h5-9,15,20H,3-4,10-12H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyQWHAHGHTXDDVLA-OAHLLOKOSA-N
MW288.39 g/mol
LogP2.95
Rot. Bonds8

About 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide

2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide (PubChem CID 107863380) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide
PubChem CID107863380
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-3-10-17(13-18,11-4-2)16(21)19-15(12-20)14-8-6-5-7-9-14/h5-9,15,20H,3-4,10-12H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyQWHAHGHTXDDVLA-OAHLLOKOSA-N
XLogP2.95
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863395
2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide
CID 79812629
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide
CID 107863374
2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 59578769
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
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
methyl 2-[(2-cyano-2-propylpentanoyl)amino]-3-hydroxypropanoate
CID 107856877
(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide
CID 25259507
2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide
CID 62843352
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide?
The IUPAC name of 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide (CID 107863380) is 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide?
The InChIKey is QWHAHGHTXDDVLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-10-17(13-18,11-4-2)16(21)19-15(12-20)14-8-6-5-7-9-14/h5-9,15,20H,3-4,10-12H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide?
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide has a molecular weight of 288.39 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide is sourced from PubChem (CID 107863380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).