2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride

C22H30ClNO3 — CID 19010543

IUPAC2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride
SMILESCCCNCC(COC(Cc1ccccc1)C(=O)c1ccccc1)OC.Cl
InChIInChI=1S/C22H29NO3.ClH/c1-3-14-23-16-20(25-2)17-26-21(15-18-10-6-4-7-11-18)22(24)19-12-8-5-9-13-19;/h4-13,20-21,23H,3,14-17H2,1-2H3;1H
InChIKeyHVZRSUMRAYUESG-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.93
Rot. Bonds12

About 2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride

2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride (PubChem CID 19010543) has the molecular formula C22H30ClNO3 and a molecular weight of 391.94 g/mol. Its IUPAC name is 2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride
PubChem CID19010543
Molecular FormulaC22H30ClNO3
Molecular Weight391.94 g/mol
Exact Mass391.19
IUPAC Name2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride
SMILESCCCNCC(COC(Cc1ccccc1)C(=O)c1ccccc1)OC.Cl
InChIInChI=1S/C22H29NO3.ClH/c1-3-14-23-16-20(25-2)17-26-21(15-18-10-6-4-7-11-18)22(24)19-12-8-5-9-13-19;/h4-13,20-21,23H,3,14-17H2,1-2H3;1H
InChIKeyHVZRSUMRAYUESG-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride?
The IUPAC name of 2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride (CID 19010543) is 2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride is CCCNCC(COC(Cc1ccccc1)C(=O)c1ccccc1)OC.Cl.
What is the InChIKey of 2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride?
The InChIKey is HVZRSUMRAYUESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3.ClH/c1-3-14-23-16-20(25-2)17-26-21(15-18-10-6-4-7-11-18)22(24)19-12-8-5-9-13-19;/h4-13,20-21,23H,3,14-17H2,1-2H3;1H.
What are the key properties of 2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride?
2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 3.93, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-3-(propylamino)propoxy]-1,3-diphenylpropan-1-one;hydrochloride is sourced from PubChem (CID 19010543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).