N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide

C20H25NO3 — CID 112977430

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCOc1cccc(CCNC(=O)COc2ccccc2C(C)C)c1
InChIInChI=1S/C20H25NO3/c1-15(2)18-9-4-5-10-19(18)24-14-20(22)21-12-11-16-7-6-8-17(13-16)23-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,21,22)
InChIKeyWBOZEEGMYUNGII-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.56
Rot. Bonds8

About N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide

N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 112977430) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID112977430
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCOc1cccc(CCNC(=O)COc2ccccc2C(C)C)c1
InChIInChI=1S/C20H25NO3/c1-15(2)18-9-4-5-10-19(18)24-14-20(22)21-12-11-16-7-6-8-17(13-16)23-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,21,22)
InChIKeyWBOZEEGMYUNGII-UHFFFAOYSA-N
XLogP3.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 39731176
2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 43019829
2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112978965
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 99952145
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 132664171
N-butyl-2-[(3-methoxyphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132718151
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
CID 60627362
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide (CID 112977430) is N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide is COc1cccc(CCNC(=O)COc2ccccc2C(C)C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is WBOZEEGMYUNGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15(2)18-9-4-5-10-19(18)24-14-20(22)21-12-11-16-7-6-8-17(13-16)23-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 112977430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).