N-[4-(2-oxopentoxy)phenyl]acetamide

C13H17NO3 — CID 62041871

IUPACN-[4-(2-oxopentoxy)phenyl]acetamide
SMILESCCCC(=O)COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H17NO3/c1-3-4-12(16)9-17-13-7-5-11(6-8-13)14-10(2)15/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyYLSSJAJIBKEUFU-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.39
Rot. Bonds6

About N-[4-(2-oxopentoxy)phenyl]acetamide

N-[4-(2-oxopentoxy)phenyl]acetamide (PubChem CID 62041871) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[4-(2-oxopentoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-oxopentoxy)phenyl]acetamide
PubChem CID62041871
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[4-(2-oxopentoxy)phenyl]acetamide
SMILESCCCC(=O)COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H17NO3/c1-3-4-12(16)9-17-13-7-5-11(6-8-13)14-10(2)15/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyYLSSJAJIBKEUFU-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

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Related Compounds

ethyl 4-(4-acetamidophenoxy)-3-oxobutanoate
CID 60643861
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide
CID 20617601
1-(4-propylphenoxy)pentan-2-one
CID 62549961
1-[4-(3-oxobutyl)phenoxy]pentan-2-one
CID 62042090
1-(4-propanoylphenoxy)pentan-2-one
CID 62043613
N-[4-[2-(4-ethoxyphenoxy)acetyl]phenyl]acetamide
CID 2560779
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
N-(4-butoxyphenyl)butanamide
CID 4939679

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxopentoxy)phenyl]acetamide?
The IUPAC name of N-[4-(2-oxopentoxy)phenyl]acetamide (CID 62041871) is N-[4-(2-oxopentoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-oxopentoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(2-oxopentoxy)phenyl]acetamide is CCCC(=O)COc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(2-oxopentoxy)phenyl]acetamide?
The InChIKey is YLSSJAJIBKEUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-4-12(16)9-17-13-7-5-11(6-8-13)14-10(2)15/h5-8H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(2-oxopentoxy)phenyl]acetamide?
N-[4-(2-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-[4-(2-oxopentoxy)phenyl]acetamide is sourced from PubChem (CID 62041871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).