(2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide

C17H25NO4 — CID 99996598

IUPAC(2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCC[C@H](O)C1CCOCC1
InChIInChI=1S/C17H25NO4/c1-13(22-15-5-3-2-4-6-15)17(20)18-10-7-16(19)14-8-11-21-12-9-14/h2-6,13-14,16,19H,7-12H2,1H3,(H,18,20)/t13-,16+/m1/s1
InChIKeyZHYNIKWOUOUBIQ-CJNGLKHVSA-N
MW307.39 g/mol
LogP1.75
Rot. Bonds7

About (2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide

(2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide (PubChem CID 99996598) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide
PubChem CID99996598
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCC[C@H](O)C1CCOCC1
InChIInChI=1S/C17H25NO4/c1-13(22-15-5-3-2-4-6-15)17(20)18-10-7-16(19)14-8-11-21-12-9-14/h2-6,13-14,16,19H,7-12H2,1H3,(H,18,20)/t13-,16+/m1/s1
InChIKeyZHYNIKWOUOUBIQ-CJNGLKHVSA-N
XLogP1.75
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide
CID 99996591
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
(2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide
CID 97414269
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide
CID 103861668
N-ethyl-2-phenoxypropanamide
CID 4282518
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
N-(2-methyl-2-morpholin-4-ylpropyl)-2-phenoxypropanamide
CID 51163418
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide (CID 99996598) is (2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide is C[C@@H](Oc1ccccc1)C(=O)NCC[C@H](O)C1CCOCC1.
What is the InChIKey of (2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide?
The InChIKey is ZHYNIKWOUOUBIQ-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H25NO4/c1-13(22-15-5-3-2-4-6-15)17(20)18-10-7-16(19)14-8-11-21-12-9-14/h2-6,13-14,16,19H,7-12H2,1H3,(H,18,20)/t13-,16+/m1/s1.
What are the key properties of (2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide?
(2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide has a molecular weight of 307.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide is sourced from PubChem (CID 99996598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).