(1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride

C12H18ClNO2 — CID 2827639

IUPAC(1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride
SMILESCC(C)OC(=O)C([NH3+])Cc1ccccc1.[Cl-]
InChIInChI=1S/C12H17NO2.ClH/c1-9(2)15-12(14)11(13)8-10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H
InChIKeyIZNCNDSZTRKDQH-UHFFFAOYSA-N
MW243.73 g/mol
LogP-2.20
Rot. Bonds4

About (1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride

(1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride (PubChem CID 2827639) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is (1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride.

Molecular Properties

Compound Name(1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride
PubChem CID2827639
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name(1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride
SMILESCC(C)OC(=O)C([NH3+])Cc1ccccc1.[Cl-]
InChIInChI=1S/C12H17NO2.ClH/c1-9(2)15-12(14)11(13)8-10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H
InChIKeyIZNCNDSZTRKDQH-UHFFFAOYSA-N
XLogP-2.20
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 5-2.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride
CID 11138497
propan-2-yl (2R)-2-benzyl-3-methylbutanoate
CID 89429198
propan-2-yl (2S)-2-benzyl-3-methylbutanoate
CID 132595294
dipropan-2-yl (2R,3S)-2-benzyl-3-hydroxybutanedioate
CID 14264444
propan-2-yl (2S)-2-(methylamino)-3-phenylpropanoate
CID 54240932
propan-2-yl 2-(chloroamino)-3-phenylpropanoate
CID 174436263
[3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium
CID 4052014
[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]azanium chloride
CID 11771429
(2S)-2-azaniumyl-3-phenylpropanoate
CID 6925665
[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 23548413
(2-methyl-3-phenylpropanoyl) 2-methyl-3-phenylpropanoate
CID 170643388
propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate
CID 24773275

Frequently Asked Questions

What is the IUPAC name of (1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride?
The IUPAC name of (1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride (CID 2827639) is (1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride.
What is the SMILES notation for (1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride?
The canonical SMILES for (1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride is CC(C)OC(=O)C([NH3+])Cc1ccccc1.[Cl-].
What is the InChIKey of (1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride?
The InChIKey is IZNCNDSZTRKDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-9(2)15-12(14)11(13)8-10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H.
What are the key properties of (1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride?
(1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride has a molecular weight of 243.73 g/mol, XLogP of -2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride is sourced from PubChem (CID 2827639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).