2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C20H25NO3 — CID 43911139

IUPAC2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1cccc(OCC(=O)NCc2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C20H25NO3/c1-14(2)24-18-10-8-17(9-11-18)12-21-20(22)13-23-19-7-5-6-15(3)16(19)4/h5-11,14H,12-13H2,1-4H3,(H,21,22)
InChIKeyBLLGIXBUTAGKCO-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.79
Rot. Bonds7

About 2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 43911139) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID43911139
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1cccc(OCC(=O)NCc2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C20H25NO3/c1-14(2)24-18-10-8-17(9-11-18)12-21-20(22)13-23-19-7-5-6-15(3)16(19)4/h5-11,14H,12-13H2,1-4H3,(H,21,22)
InChIKeyBLLGIXBUTAGKCO-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711623
N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 92676497
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
(2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 28574055
2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921514
2-(4-tert-butylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633311
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9300913
N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51065574
2-(2-bromo-4-phenylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911105
2-(3,4-dimethylphenoxy)-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108541272
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 43911139) is 2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is Cc1cccc(OCC(=O)NCc2ccc(OC(C)C)cc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is BLLGIXBUTAGKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14(2)24-18-10-8-17(9-11-18)12-21-20(22)13-23-19-7-5-6-15(3)16(19)4/h5-11,14H,12-13H2,1-4H3,(H,21,22).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 43911139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).