2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide

C20H23NO3 — CID 2592770

IUPAC2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-15(2)12-13-21-19(22)14-24-18-10-8-17(9-11-18)20(23)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,21,22)
InChIKeyHRECTGSQPJTAOA-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.46
Rot. Bonds8

About 2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide

2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide (PubChem CID 2592770) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide
PubChem CID2592770
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-15(2)12-13-21-19(22)14-24-18-10-8-17(9-11-18)20(23)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,21,22)
InChIKeyHRECTGSQPJTAOA-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tiropramide
CID 42262
2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone
CID 35751
A 304121
CID 9906860
[4-[2-(Diethylamino)ethoxy]phenyl]phenylmethanone
CID 69931
2-(4-Benzoylphenoxy)-1-(morpholin-4-yl)ethan-1-one
CID 2457115
AdipoRon
CID 16307093
Tcmdc-123621
CID 2400619
4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2222949
2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2225978
4-tert-butyl-N-(2-phenoxyethyl)benzamide
CID 2244662
4-methoxy-N-(3-phenylpropyl)benzamide
CID 1744311
N-(2-phenoxyethyl)benzamide
CID 1811246

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide (CID 2592770) is 2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide?
The InChIKey is HRECTGSQPJTAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(2)12-13-21-19(22)14-24-18-10-8-17(9-11-18)20(23)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide?
2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 2592770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).