N-[3-(4-oxopentoxy)phenyl]acetamide

C13H17NO3 — CID 62030070

IUPACN-[3-(4-oxopentoxy)phenyl]acetamide
SMILESCC(=O)CCCOc1cccc(NC(C)=O)c1
InChIInChI=1S/C13H17NO3/c1-10(15)5-4-8-17-13-7-3-6-12(9-13)14-11(2)16/h3,6-7,9H,4-5,8H2,1-2H3,(H,14,16)
InChIKeyYNVDGENTWKMFTB-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.39
Rot. Bonds6

About N-[3-(4-oxopentoxy)phenyl]acetamide

N-[3-(4-oxopentoxy)phenyl]acetamide (PubChem CID 62030070) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[3-(4-oxopentoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-oxopentoxy)phenyl]acetamide
PubChem CID62030070
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[3-(4-oxopentoxy)phenyl]acetamide
SMILESCC(=O)CCCOc1cccc(NC(C)=O)c1
InChIInChI=1S/C13H17NO3/c1-10(15)5-4-8-17-13-7-3-6-12(9-13)14-11(2)16/h3,6-7,9H,4-5,8H2,1-2H3,(H,14,16)
InChIKeyYNVDGENTWKMFTB-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide
CID 62030071
5-(3-chlorophenoxy)pentan-2-one
CID 62030286
butyl 2-(3-acetamidophenoxy)acetate
CID 54941709
N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride
CID 119319260
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7147989
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxopentoxy)phenyl]acetamide?
The IUPAC name of N-[3-(4-oxopentoxy)phenyl]acetamide (CID 62030070) is N-[3-(4-oxopentoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-oxopentoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(4-oxopentoxy)phenyl]acetamide is CC(=O)CCCOc1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-(4-oxopentoxy)phenyl]acetamide?
The InChIKey is YNVDGENTWKMFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(15)5-4-8-17-13-7-3-6-12(9-13)14-11(2)16/h3,6-7,9H,4-5,8H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(4-oxopentoxy)phenyl]acetamide?
N-[3-(4-oxopentoxy)phenyl]acetamide has a molecular weight of 235.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxopentoxy)phenyl]acetamide is sourced from PubChem (CID 62030070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).