5-amino-1-(4-benzoylphenoxy)pentan-2-one

C18H19NO3 — CID 58115304

IUPAC5-amino-1-(4-benzoylphenoxy)pentan-2-one
SMILESNCCCC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c19-12-4-7-16(20)13-22-17-10-8-15(9-11-17)18(21)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,19H2
InChIKeyUFEFXDIQWISEIF-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.60
Rot. Bonds8

About 5-amino-1-(4-benzoylphenoxy)pentan-2-one

5-amino-1-(4-benzoylphenoxy)pentan-2-one (PubChem CID 58115304) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-amino-1-(4-benzoylphenoxy)pentan-2-one.

Molecular Properties

Compound Name5-amino-1-(4-benzoylphenoxy)pentan-2-one
PubChem CID58115304
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name5-amino-1-(4-benzoylphenoxy)pentan-2-one
SMILESNCCCC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c19-12-4-7-16(20)13-22-17-10-8-15(9-11-17)18(21)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,19H2
InChIKeyUFEFXDIQWISEIF-UHFFFAOYSA-N
XLogP2.60
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 157442056
CID 157442056
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one
CID 20507347
2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone
CID 7717893
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925584
[4-(2-aminooxyethoxy)phenyl]-phenylmethanone
CID 122389379
ethenyl 2-(4-benzoylphenoxy)acetate
CID 154092320
2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 75435846
cyanomethyl 2-(4-benzoylphenoxy)acetate
CID 2596653
(2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119359613
N-(1-amino-2-methylpropan-2-yl)-2-(4-benzoylphenoxy)acetamide
CID 119522817

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-benzoylphenoxy)pentan-2-one?
The IUPAC name of 5-amino-1-(4-benzoylphenoxy)pentan-2-one (CID 58115304) is 5-amino-1-(4-benzoylphenoxy)pentan-2-one.
What is the SMILES notation for 5-amino-1-(4-benzoylphenoxy)pentan-2-one?
The canonical SMILES for 5-amino-1-(4-benzoylphenoxy)pentan-2-one is NCCCC(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 5-amino-1-(4-benzoylphenoxy)pentan-2-one?
The InChIKey is UFEFXDIQWISEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c19-12-4-7-16(20)13-22-17-10-8-15(9-11-17)18(21)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,19H2.
What are the key properties of 5-amino-1-(4-benzoylphenoxy)pentan-2-one?
5-amino-1-(4-benzoylphenoxy)pentan-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-benzoylphenoxy)pentan-2-one is sourced from PubChem (CID 58115304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).