2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide

C18H27NO4 — CID 5059346

IUPAC2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(C)CCOc1cccc(OCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H27NO4/c1-14(2)8-10-22-15-5-3-6-16(11-15)23-13-18(20)19-12-17-7-4-9-21-17/h3,5-6,11,14,17H,4,7-10,12-13H2,1-2H3,(H,19,20)
InChIKeyFXAILPOEBLNDSL-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.79
Rot. Bonds9

About 2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide

2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 5059346) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID5059346
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(C)CCOc1cccc(OCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H27NO4/c1-14(2)8-10-22-15-5-3-6-16(11-15)23-13-18(20)19-12-17-7-4-9-21-17/h3,5-6,11,14,17H,4,7-10,12-13H2,1-2H3,(H,19,20)
InChIKeyFXAILPOEBLNDSL-UHFFFAOYSA-N
XLogP2.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-methylbutoxy)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2324006
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41099396
4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836756
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 46410900
2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluorophenoxy)acetate
CID 2369928
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate
CID 7803969
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556
2-(4-bromo-3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2922415
N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide
CID 54825001

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (CID 5059346) is 2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide is CC(C)CCOc1cccc(OCC(=O)NCC2CCCO2)c1.
What is the InChIKey of 2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FXAILPOEBLNDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-14(2)8-10-22-15-5-3-6-16(11-15)23-13-18(20)19-12-17-7-4-9-21-17/h3,5-6,11,14,17H,4,7-10,12-13H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 5059346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).