4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one

C18H21NO2 — CID 18716186

IUPAC4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one
SMILESCC(=O)C(O)C(Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(20)18(21)17(12-15-8-4-2-5-9-15)19-13-16-10-6-3-7-11-16/h2-11,17-19,21H,12-13H2,1H3
InChIKeyGLRGJEJXQPPLCF-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.34
Rot. Bonds7

About 4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one

4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one (PubChem CID 18716186) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one.

Molecular Properties

Compound Name4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one
PubChem CID18716186
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one
SMILESCC(=O)C(O)C(Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(20)18(21)17(12-15-8-4-2-5-9-15)19-13-16-10-6-3-7-11-16/h2-11,17-19,21H,12-13H2,1H3
InChIKeyGLRGJEJXQPPLCF-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
CID 59897360
methyl 2-hydroxy-3-(methylamino)-4-phenylbutanoate
CID 20669273
4-(benzylamino)hexan-3-ol
CID 123502120
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid
CID 141366612
2-(benzylamino)-2-hydroxyacetic acid
CID 163519207
(3S)-3-hydrazinyl-4-phenylbutan-2-one
CID 118951823
(3S)-3-(hydroxyamino)-4-phenylbutan-2-one
CID 121371812
bis(N-methyl-1-phenylmethanamine);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 173404118
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 21219515
[(2S)-2-(benzylamino)-3-phenylpropanoyl] (2S)-2-(benzylamino)-3-phenylpropanoate
CID 140618635

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one?
The IUPAC name of 4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one (CID 18716186) is 4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one.
What is the SMILES notation for 4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one?
The canonical SMILES for 4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one is CC(=O)C(O)C(Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of 4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one?
The InChIKey is GLRGJEJXQPPLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(20)18(21)17(12-15-8-4-2-5-9-15)19-13-16-10-6-3-7-11-16/h2-11,17-19,21H,12-13H2,1H3.
What are the key properties of 4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one?
4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one has a molecular weight of 283.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one is sourced from PubChem (CID 18716186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).