2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide

C21H25NO4 — CID 17141795

IUPAC2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(OCC3CCCO3)c2)c(C)c1
InChIInChI=1S/C21H25NO4/c1-15-8-9-20(16(2)11-15)26-14-21(23)22-17-5-3-6-18(12-17)25-13-19-7-4-10-24-19/h3,5-6,8-9,11-12,19H,4,7,10,13-14H2,1-2H3,(H,22,23)
InChIKeyOPHSNZNNFXXESP-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.88
Rot. Bonds7

About 2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide

2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 17141795) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID17141795
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(OCC3CCCO3)c2)c(C)c1
InChIInChI=1S/C21H25NO4/c1-15-8-9-20(16(2)11-15)26-14-21(23)22-17-5-3-6-18(12-17)25-13-19-7-4-10-24-19/h3,5-6,8-9,11-12,19H,4,7,10,13-14H2,1-2H3,(H,22,23)
InChIKeyOPHSNZNNFXXESP-UHFFFAOYSA-N
XLogP3.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444899
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 38477135
4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 38477132
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 46449164
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 46411615
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 17141795) is 2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2cccc(OCC3CCCO3)c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is OPHSNZNNFXXESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15-8-9-20(16(2)11-15)26-14-21(23)22-17-5-3-6-18(12-17)25-13-19-7-4-10-24-19/h3,5-6,8-9,11-12,19H,4,7,10,13-14H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 355.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 17141795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).