N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide

C13H17NO3 — CID 64698163

IUPACN-[2-(4-oxopentan-2-yloxy)phenyl]acetamide
SMILESCC(=O)CC(C)Oc1ccccc1NC(C)=O
InChIInChI=1S/C13H17NO3/c1-9(15)8-10(2)17-13-7-5-4-6-12(13)14-11(3)16/h4-7,10H,8H2,1-3H3,(H,14,16)
InChIKeySABQFNGUYRAJFZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide

N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide (PubChem CID 64698163) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-oxopentan-2-yloxy)phenyl]acetamide
PubChem CID64698163
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[2-(4-oxopentan-2-yloxy)phenyl]acetamide
SMILESCC(=O)CC(C)Oc1ccccc1NC(C)=O
InChIInChI=1S/C13H17NO3/c1-9(15)8-10(2)17-13-7-5-4-6-12(13)14-11(3)16/h4-7,10H,8H2,1-3H3,(H,14,16)
InChIKeySABQFNGUYRAJFZ-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-acetamidophenoxy)propanoate
CID 54941686
4-(2-ethoxyphenoxy)pentan-2-one
CID 64698334
(2-acetamidophenyl) hypochlorite
CID 150463309
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
methyl 3-(2-acetamidophenoxy)-2-methylpropanoate
CID 43537861
(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 9116644
(2R)-2-(2-acetamidophenoxy)-N-cyclohexylpropanamide
CID 9111099
N-[2-[1-(3-aminophenyl)ethoxy]phenyl]acetamide
CID 61261456
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide?
The IUPAC name of N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide (CID 64698163) is N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide.
What is the SMILES notation for N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide?
The canonical SMILES for N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide is CC(=O)CC(C)Oc1ccccc1NC(C)=O.
What is the InChIKey of N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide?
The InChIKey is SABQFNGUYRAJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(15)8-10(2)17-13-7-5-4-6-12(13)14-11(3)16/h4-7,10H,8H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide?
N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide has a molecular weight of 235.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide is sourced from PubChem (CID 64698163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).