2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C17H25NO3 — CID 41099396

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1cc(OCC(=O)NC[C@@H]2CCCO2)ccc1C(C)C
InChIInChI=1S/C17H25NO3/c1-12(2)16-7-6-14(9-13(16)3)21-11-17(19)18-10-15-5-4-8-20-15/h6-7,9,12,15H,4-5,8,10-11H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyRAOVFOKRFQOVOV-HNNXBMFYSA-N
MW291.39 g/mol
LogP2.79
Rot. Bonds6

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 41099396) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID41099396
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1cc(OCC(=O)NC[C@@H]2CCCO2)ccc1C(C)C
InChIInChI=1S/C17H25NO3/c1-12(2)16-7-6-14(9-13(16)3)21-11-17(19)18-10-15-5-4-8-20-15/h6-7,9,12,15H,4-5,8,10-11H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyRAOVFOKRFQOVOV-HNNXBMFYSA-N
XLogP2.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 5059346
2-[3-(3-methylbutoxy)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2324006
2-(4-bromo-3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2922415
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404420
N-cyclopentyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 134007945
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
2-(3-chloro-4-cyanophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 99830322
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9170871
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1088507

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 41099396) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1cc(OCC(=O)NC[C@@H]2CCCO2)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is RAOVFOKRFQOVOV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)16-7-6-14(9-13(16)3)21-11-17(19)18-10-15-5-4-8-20-15/h6-7,9,12,15H,4-5,8,10-11H2,1-3H3,(H,18,19)/t15-/m0/s1.
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 41099396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).