1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one

C15H21NO2 — CID 116567022

IUPAC1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one
SMILESNCC(C(=O)CCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H21NO2/c16-11-14(12-5-2-1-3-6-12)15(17)9-8-13-7-4-10-18-13/h1-3,5-6,13-14H,4,7-11,16H2
InChIKeySJXXQCHFRIQYLO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds6

About 1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one

1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one (PubChem CID 116567022) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one.

Molecular Properties

Compound Name1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one
PubChem CID116567022
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one
SMILESNCC(C(=O)CCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H21NO2/c16-11-14(12-5-2-1-3-6-12)15(17)9-8-13-7-4-10-18-13/h1-3,5-6,13-14H,4,7-11,16H2
InChIKeySJXXQCHFRIQYLO-UHFFFAOYSA-N
XLogP2.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-(oxolan-2-yl)-1-phenylbutan-2-one
CID 81236403
3-amino-N-[2-(oxolan-2-yl)ethyl]-2-phenylpropanamide
CID 62878363
3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide
CID 62876627
1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one
CID 116570924
methyl 3-[2-(oxolan-2-yl)ethylamino]-2-phenylpropanoate
CID 64567904
3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 166301428
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729
2-(2-chlorophenyl)-3-oxo-5-(oxolan-2-yl)pentanenitrile
CID 65155584
3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid
CID 65157429
4-[3-(oxan-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201385
3-phenylpropyl 3-(oxolan-2-yl)propanoate
CID 78859306
3-[methyl(oxolan-2-ylmethyl)amino]-2-phenylpropanehydrazide
CID 64566065

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one?
The IUPAC name of 1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one (CID 116567022) is 1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one.
What is the SMILES notation for 1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one?
The canonical SMILES for 1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one is NCC(C(=O)CCC1CCCO1)c1ccccc1.
What is the InChIKey of 1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one?
The InChIKey is SJXXQCHFRIQYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-11-14(12-5-2-1-3-6-12)15(17)9-8-13-7-4-10-18-13/h1-3,5-6,13-14H,4,7-11,16H2.
What are the key properties of 1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one?
1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one has a molecular weight of 247.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one is sourced from PubChem (CID 116567022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).