2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide

C13H19NO3 — CID 79031567

IUPAC2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N[C@H](C)CO)c1
InChIInChI=1S/C13H19NO3/c1-9-4-5-10(2)12(6-9)17-8-13(16)14-11(3)7-15/h4-6,11,15H,7-8H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyMSAXXTRNMYRBEK-LLVKDONJSA-N
MW237.30 g/mol
LogP1.18
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide

2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide (PubChem CID 79031567) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
PubChem CID79031567
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N[C@H](C)CO)c1
InChIInChI=1S/C13H19NO3/c1-9-4-5-10(2)12(6-9)17-8-13(16)14-11(3)7-15/h4-6,11,15H,7-8H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyMSAXXTRNMYRBEK-LLVKDONJSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327488
(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157150
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8795085
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461286
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
ethyl 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 43877584

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide (CID 79031567) is 2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide is Cc1ccc(C)c(OCC(=O)N[C@H](C)CO)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is MSAXXTRNMYRBEK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-4-5-10(2)12(6-9)17-8-13(16)14-11(3)7-15/h4-6,11,15H,7-8H2,1-3H3,(H,14,16)/t11-/m1/s1.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 79031567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).