N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide

C13H17NO3 — CID 70467709

IUPACN-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
SMILESCC(=O)Cc1ccc(OCCNC(C)=O)cc1
InChIInChI=1S/C13H17NO3/c1-10(15)9-12-3-5-13(6-4-12)17-8-7-14-11(2)16/h3-6H,7-9H2,1-2H3,(H,14,16)
InChIKeyWBEPEUJWSPXXLP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.33
Rot. Bonds6

About N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide

N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide (PubChem CID 70467709) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
PubChem CID70467709
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
SMILESCC(=O)Cc1ccc(OCCNC(C)=O)cc1
InChIInChI=1S/C13H17NO3/c1-10(15)9-12-3-5-13(6-4-12)17-8-7-14-11(2)16/h3-6H,7-9H2,1-2H3,(H,14,16)
InChIKeyWBEPEUJWSPXXLP-UHFFFAOYSA-N
XLogP1.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-oxopropyl)phenoxy]ethyl]methanesulfonamide
CID 70468040
methyl 4-(2-acetamidoethoxy)benzoate
CID 3104610
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride
CID 3079549
1-[4-[2-[(3-hydroxy-3-phenoxypropyl)amino]ethoxy]phenyl]propan-2-one
CID 67832749
N-[2-(2-methylpyrimidin-5-yl)oxyethyl]acetamide
CID 145197422
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305
N-[3-(4-formylphenoxy)propyl]acetamide
CID 82037091
N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 71342969
N-[3-[4-(cyclooctylmethyl)phenoxy]propyl]acetamide
CID 142221811

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide (CID 70467709) is N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide is CC(=O)Cc1ccc(OCCNC(C)=O)cc1.
What is the InChIKey of N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide?
The InChIKey is WBEPEUJWSPXXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(15)9-12-3-5-13(6-4-12)17-8-7-14-11(2)16/h3-6H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide?
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide has a molecular weight of 235.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 70467709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).