N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide

C17H25NO4 — CID 164957681

IUPACN-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide
SMILESCC[C@@H](O)[C@H]1O[C@H](OCc2ccccc2)[C@H](NC(C)=O)C1C
InChIInChI=1S/C17H25NO4/c1-4-14(20)16-11(2)15(18-12(3)19)17(22-16)21-10-13-8-6-5-7-9-13/h5-9,11,14-17,20H,4,10H2,1-3H3,(H,18,19)/t11?,14-,15-,16+,17+/m1/s1
InChIKeyQQRZDLLADZIFNK-BVSHKSBISA-N
MW307.39 g/mol
LogP1.84
Rot. Bonds6

About N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide

N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide (PubChem CID 164957681) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide
PubChem CID164957681
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC NameN-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide
SMILESCC[C@@H](O)[C@H]1O[C@H](OCc2ccccc2)[C@H](NC(C)=O)C1C
InChIInChI=1S/C17H25NO4/c1-4-14(20)16-11(2)15(18-12(3)19)17(22-16)21-10-13-8-6-5-7-9-13/h5-9,11,14-17,20H,4,10H2,1-3H3,(H,18,19)/t11?,14-,15-,16+,17+/m1/s1
InChIKeyQQRZDLLADZIFNK-BVSHKSBISA-N
XLogP1.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide 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

N-[(2S,3R,4R,5R,6S)-5-hydroxy-6-methyl-2,4-bis(phenylmethoxy)oxan-3-yl]acetamide
CID 52912718
N-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 11888392
N-[(4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 172641817
N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 6540868
N-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 11870400
N-[(2S,3R,4S,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-yl]acetamide
CID 54246589
(3R,4S,5S,6R)-5-acetamido-3,4-diacetyloxy-6-phenylmethoxyoxane-2-carboxylic acid
CID 23820291
N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2,5-bis(phenylmethoxy)oxan-3-yl]acetamide
CID 23266984
N-[(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 45050683
N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-6-(1-hydroxy-2-phenylethyl)-2-phenylmethoxy-4-prop-2-enyloxan-3-yl]acetamide
CID 57186427
(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-phenylmethoxyoxane-2-carboxylate
CID 7165540
[(2R,3S,4S,5S,6R)-5-acetamido-4-acetyloxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-yl] acetate
CID 124801836

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide (CID 164957681) is N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide is CC[C@@H](O)[C@H]1O[C@H](OCc2ccccc2)[C@H](NC(C)=O)C1C.
What is the InChIKey of N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide?
The InChIKey is QQRZDLLADZIFNK-BVSHKSBISA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-14(20)16-11(2)15(18-12(3)19)17(22-16)21-10-13-8-6-5-7-9-13/h5-9,11,14-17,20H,4,10H2,1-3H3,(H,18,19)/t11?,14-,15-,16+,17+/m1/s1.
What are the key properties of N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide?
N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide has a molecular weight of 307.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,5S)-5-[(1R)-1-hydroxypropyl]-4-methyl-2-phenylmethoxyoxolan-3-yl]acetamide is sourced from PubChem (CID 164957681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).