(2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide

C20H23NO3 — CID 95379382

IUPAC(2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NC[C@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C20H23NO3/c1-15(24-18-10-6-3-7-11-18)19(22)21-14-20(23,17-12-13-17)16-8-4-2-5-9-16/h2-11,15,17,23H,12-14H2,1H3,(H,21,22)/t15-,20-/m0/s1
InChIKeyOZRFPJQBCDFOBH-YWZLYKJASA-N
MW325.41 g/mol
LogP2.87
Rot. Bonds7

About (2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide

(2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide (PubChem CID 95379382) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide
PubChem CID95379382
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NC[C@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C20H23NO3/c1-15(24-18-10-6-3-7-11-18)19(22)21-14-20(23,17-12-13-17)16-8-4-2-5-9-16/h2-11,15,17,23H,12-14H2,1H3,(H,21,22)/t15-,20-/m0/s1
InChIKeyOZRFPJQBCDFOBH-YWZLYKJASA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide
CID 90535558
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide
CID 66169775
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
CID 119630231
N-(2-methoxy-2-phenylbutyl)-2-phenoxypropanamide
CID 90599490
N-ethyl-2-phenoxypropanamide
CID 4282518
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide
CID 103825152
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide
CID 90535556
2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid
CID 43360421
N-(2,2-diphenylpropyl)-2-(3-methylphenoxy)propanamide
CID 18272008
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide (CID 95379382) is (2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)NC[C@](O)(c1ccccc1)C1CC1.
What is the InChIKey of (2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide?
The InChIKey is OZRFPJQBCDFOBH-YWZLYKJASA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(24-18-10-6-3-7-11-18)19(22)21-14-20(23,17-12-13-17)16-8-4-2-5-9-16/h2-11,15,17,23H,12-14H2,1H3,(H,21,22)/t15-,20-/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide?
(2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide has a molecular weight of 325.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide is sourced from PubChem (CID 95379382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).