1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one

C22H29NO3 — CID 11725758

IUPAC1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one
SMILESCCCN(C)CC(O)COc1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C22H29NO3/c1-3-15-23(2)16-19(24)17-26-22-12-8-7-11-20(22)21(25)14-13-18-9-5-4-6-10-18/h4-12,19,24H,3,13-17H2,1-2H3
InChIKeyOVJLBHULUOXYFR-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.58
Rot. Bonds11

About 1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one

1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one (PubChem CID 11725758) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one
PubChem CID11725758
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one
SMILESCCCN(C)CC(O)COc1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C22H29NO3/c1-3-15-23(2)16-19(24)17-26-22-12-8-7-11-20(22)21(25)14-13-18-9-5-4-6-10-18/h4-12,19,24H,3,13-17H2,1-2H3
InChIKeyOVJLBHULUOXYFR-UHFFFAOYSA-N
XLogP3.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one (CID 11725758) is 1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one is CCCN(C)CC(O)COc1ccccc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one?
The InChIKey is OVJLBHULUOXYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-3-15-23(2)16-19(24)17-26-22-12-8-7-11-20(22)21(25)14-13-18-9-5-4-6-10-18/h4-12,19,24H,3,13-17H2,1-2H3.
What are the key properties of 1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one?
1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one has a molecular weight of 355.48 g/mol, XLogP of 3.58, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-hydroxy-3-[methyl(propyl)amino]propoxy]phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 11725758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).