(1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+)

C12H18NORb — CID 59894889

IUPAC(1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+)
SMILESCCC[N-]C(CO)Cc1ccccc1.[Rb+]
InChIInChI=1S/C12H18NO.Rb/c1-2-8-13-12(10-14)9-11-6-4-3-5-7-11;/h3-7,12,14H,2,8-10H2,1H3;/q-1;+1
InChIKeySCBFYVSCBHIUMF-UHFFFAOYSA-N
MW277.75 g/mol
LogP-0.62
Rot. Bonds6

About (1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+)

(1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+) (PubChem CID 59894889) has the molecular formula C12H18NORb and a molecular weight of 277.75 g/mol. Its IUPAC name is (1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+).

Molecular Properties

Compound Name(1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+)
PubChem CID59894889
Molecular FormulaC12H18NORb
Molecular Weight277.75 g/mol
Exact Mass277.05
IUPAC Name(1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+)
SMILESCCC[N-]C(CO)Cc1ccccc1.[Rb+]
InChIInChI=1S/C12H18NO.Rb/c1-2-8-13-12(10-14)9-11-6-4-3-5-7-11;/h3-7,12,14H,2,8-10H2,1H3;/q-1;+1
InChIKeySCBFYVSCBHIUMF-UHFFFAOYSA-N
XLogP-0.62
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(3S)-3-benzylheptan-1-ol
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1-phenylhexane-2,3-diol
CID 68731092
3-benzylheptadecan-1-ol
CID 70425860
3-benzylpentadecan-1-ol
CID 174933241
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
pentan-2-ylbenzene;2-propylpentylbenzene
CID 142193599
2-amino-3-phenylpropan-1-ol;butan-1-ol
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CID 59859919

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+)?
The IUPAC name of (1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+) (CID 59894889) is (1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+).
What is the SMILES notation for (1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+)?
The canonical SMILES for (1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+) is CCC[N-]C(CO)Cc1ccccc1.[Rb+].
What is the InChIKey of (1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+)?
The InChIKey is SCBFYVSCBHIUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO.Rb/c1-2-8-13-12(10-14)9-11-6-4-3-5-7-11;/h3-7,12,14H,2,8-10H2,1H3;/q-1;+1.
What are the key properties of (1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+)?
(1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+) has a molecular weight of 277.75 g/mol, XLogP of -0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-phenylpropan-2-yl)-propylazanide;rubidium(1+) is sourced from PubChem (CID 59894889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).