2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide

C21H25NO4 — CID 51190365

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)COc1ccc(C(C)=O)cc1OC)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-4-16(17-8-6-5-7-9-17)13-22-21(24)14-26-19-11-10-18(15(2)23)12-20(19)25-3/h5-12,16H,4,13-14H2,1-3H3,(H,22,24)
InChIKeySXONAHOIWPUKAB-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.59
Rot. Bonds9

About 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide (PubChem CID 51190365) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
PubChem CID51190365
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)COc1ccc(C(C)=O)cc1OC)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-4-16(17-8-6-5-7-9-17)13-22-21(24)14-26-19-11-10-18(15(2)23)12-20(19)25-3/h5-12,16H,4,13-14H2,1-3H3,(H,22,24)
InChIKeySXONAHOIWPUKAB-UHFFFAOYSA-N
XLogP3.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate
CID 55773551
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 42906840
2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide
CID 55643256
3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide
CID 45351975
2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide
CID 55659284
2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide
CID 78801691
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 2998274
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide
CID 55337679
2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
CID 119179703
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide (CID 51190365) is 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide is CCC(CNC(=O)COc1ccc(C(C)=O)cc1OC)c1ccccc1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide?
The InChIKey is SXONAHOIWPUKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-16(17-8-6-5-7-9-17)13-22-21(24)14-26-19-11-10-18(15(2)23)12-20(19)25-3/h5-12,16H,4,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide has a molecular weight of 355.43 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide is sourced from PubChem (CID 51190365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).