2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide

C15H21NO3 — CID 91771798

IUPAC2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
SMILESCc1ccc(C)c(CC(=O)N[C@@H]2CCOC[C@H]2O)c1
InChIInChI=1S/C15H21NO3/c1-10-3-4-11(2)12(7-10)8-15(18)16-13-5-6-19-9-14(13)17/h3-4,7,13-14,17H,5-6,8-9H2,1-2H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyNIDRFBGDFNMVKF-ZIAGYGMSSA-N
MW263.34 g/mol
LogP1.11
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide

2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide (PubChem CID 91771798) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
PubChem CID91771798
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
SMILESCc1ccc(C)c(CC(=O)N[C@@H]2CCOC[C@H]2O)c1
InChIInChI=1S/C15H21NO3/c1-10-3-4-11(2)12(7-10)8-15(18)16-13-5-6-19-9-14(13)17/h3-4,7,13-14,17H,5-6,8-9H2,1-2H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyNIDRFBGDFNMVKF-ZIAGYGMSSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-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-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 155915771
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 91761241
2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133267562
4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919725
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,6-dimethylnaphthalene-1-carboxamide
CID 146140193
2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
CID 95631988
2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135094048
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103798521
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
2-(2,5-dimethylphenyl)-N-piperidin-4-ylacetamide
CID 62537679

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide (CID 91771798) is 2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide is Cc1ccc(C)c(CC(=O)N[C@@H]2CCOC[C@H]2O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide?
The InChIKey is NIDRFBGDFNMVKF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-3-4-11(2)12(7-10)8-15(18)16-13-5-6-19-9-14(13)17/h3-4,7,13-14,17H,5-6,8-9H2,1-2H3,(H,16,18)/t13-,14-/m1/s1.
What are the key properties of 2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide?
2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide is sourced from PubChem (CID 91771798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).