3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one

C21H25NO2 — CID 12787133

IUPAC3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one
SMILESO=C(c1ccccc1)C(O)(CNC1CCCCC1)c1ccccc1
InChIInChI=1S/C21H25NO2/c23-20(17-10-4-1-5-11-17)21(24,18-12-6-2-7-13-18)16-22-19-14-8-3-9-15-19/h1-2,4-7,10-13,19,22,24H,3,8-9,14-16H2
InChIKeyGEJWJCIGEGDLJR-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.68
Rot. Bonds6

About 3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one

3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one (PubChem CID 12787133) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one.

Molecular Properties

Compound Name3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one
PubChem CID12787133
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one
SMILESO=C(c1ccccc1)C(O)(CNC1CCCCC1)c1ccccc1
InChIInChI=1S/C21H25NO2/c23-20(17-10-4-1-5-11-17)21(24,18-12-6-2-7-13-18)16-22-19-14-8-3-9-15-19/h1-2,4-7,10-13,19,22,24H,3,8-9,14-16H2
InChIKeyGEJWJCIGEGDLJR-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenyl]benzoic acid
CID 24895789
Mls002607919
CID 234818
2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-1-ium-2-yl]-1-phenylethanone
CID 6955138
Benzoic acid, compd. with N-cyclohexylcyclohexanamine (1:1)
CID 168040
Benzeneacetamide, N-ethyl-alpha-hydroxy-alpha-phenyl-
CID 202245
Benzeneacetamide, alpha-hydroxy-N-(1-methylethyl)-alpha-phenyl-
CID 3043303
N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide
CID 11154247
2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide
CID 11174765
2-hydroxy-2-phenyl-N-(3-phenylpropyl)butanamide
CID 11243450
2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide
CID 11427771
7-(Benzylamino)-1-cyclohexyl-1-hydroxy-1-phenylhept-5-yn-2-one
CID 15105858
N-butyl-2-hydroxy-2,2-diphenylacetamide
CID 24286581

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one?
The IUPAC name of 3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one (CID 12787133) is 3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one.
What is the SMILES notation for 3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one?
The canonical SMILES for 3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one is O=C(c1ccccc1)C(O)(CNC1CCCCC1)c1ccccc1.
What is the InChIKey of 3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one?
The InChIKey is GEJWJCIGEGDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-20(17-10-4-1-5-11-17)21(24,18-12-6-2-7-13-18)16-22-19-14-8-3-9-15-19/h1-2,4-7,10-13,19,22,24H,3,8-9,14-16H2.
What are the key properties of 3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one?
3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one has a molecular weight of 323.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one is sourced from PubChem (CID 12787133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).