(2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide

C18H27NO2 — CID 134998857

IUPAC(2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
SMILESC=CC[C@@](C)(CC)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-6-13-18(4,7-2)17(21)19(5)14(3)16(20)15-11-9-8-10-12-15/h6,8-12,14,16,20H,1,7,13H2,2-5H3/t14-,16+,18+/m0/s1
InChIKeyQGUFJRAFSWTTSO-YXJHDRRASA-N
MW289.42 g/mol
LogP3.56
Rot. Bonds7

About (2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide

(2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide (PubChem CID 134998857) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
PubChem CID134998857
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
SMILESC=CC[C@@](C)(CC)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-6-13-18(4,7-2)17(21)19(5)14(3)16(20)15-11-9-8-10-12-15/h6,8-12,14,16,20H,1,7,13H2,2-5H3/t14-,16+,18+/m0/s1
InChIKeyQGUFJRAFSWTTSO-YXJHDRRASA-N
XLogP3.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide?
The IUPAC name of (2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide (CID 134998857) is (2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide.
What is the SMILES notation for (2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide?
The canonical SMILES for (2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide is C=CC[C@@](C)(CC)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide?
The InChIKey is QGUFJRAFSWTTSO-YXJHDRRASA-N. The full InChI is InChI=1S/C18H27NO2/c1-6-13-18(4,7-2)17(21)19(5)14(3)16(20)15-11-9-8-10-12-15/h6,8-12,14,16,20H,1,7,13H2,2-5H3/t14-,16+,18+/m0/s1.
What are the key properties of (2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide?
(2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide has a molecular weight of 289.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide is sourced from PubChem (CID 134998857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).