N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide

C18H19NO3 — CID 13128525

IUPACN-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCCC(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(20)19-16-10-5-6-12-18(16)22-13-7-11-17(21)15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13H2,1H3,(H,19,20)
InChIKeyFGGVYXRDTGHUGH-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.69
Rot. Bonds7

About N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide

N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide (PubChem CID 13128525) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide
PubChem CID13128525
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCCC(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(20)19-16-10-5-6-12-18(16)22-13-7-11-17(21)15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13H2,1H3,(H,19,20)
InChIKeyFGGVYXRDTGHUGH-UHFFFAOYSA-N
XLogP3.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.69
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-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide
CID 63576193
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
4-(2-aminophenoxy)-1-phenylbutan-1-one;hydrochloride
CID 71412332
4-(2-bromophenoxy)-1-phenylbutan-1-one
CID 60644532
N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
CID 61076230
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide
CID 86096394
N-[2-[2-(4-fluorophenoxy)ethoxy]phenyl]acetamide
CID 7506171
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide?
The IUPAC name of N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide (CID 13128525) is N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide?
The canonical SMILES for N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide is CC(=O)Nc1ccccc1OCCCC(=O)c1ccccc1.
What is the InChIKey of N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide?
The InChIKey is FGGVYXRDTGHUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(20)19-16-10-5-6-12-18(16)22-13-7-11-17(21)15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide?
N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide has a molecular weight of 297.35 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide is sourced from PubChem (CID 13128525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).