3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one

C22H29NO4 — CID 14369347

IUPAC3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one
SMILESCCCNCC(O)COc1ccccc1CCC(=O)c1cccc(OC)c1
InChIInChI=1S/C22H29NO4/c1-3-13-23-15-19(24)16-27-22-10-5-4-7-17(22)11-12-21(25)18-8-6-9-20(14-18)26-2/h4-10,14,19,23-24H,3,11-13,15-16H2,1-2H3
InChIKeyVSPBVBWXNOZCNA-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.25
Rot. Bonds12

About 3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one

3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one (PubChem CID 14369347) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one
PubChem CID14369347
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one
SMILESCCCNCC(O)COc1ccccc1CCC(=O)c1cccc(OC)c1
InChIInChI=1S/C22H29NO4/c1-3-13-23-15-19(24)16-27-22-10-5-4-7-17(22)11-12-21(25)18-8-6-9-20(14-18)26-2/h4-10,14,19,23-24H,3,11-13,15-16H2,1-2H3
InChIKeyVSPBVBWXNOZCNA-UHFFFAOYSA-N
XLogP3.25
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]propan-2-one
CID 70291265
3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one
CID 110177068
1-(2-methylsulfanylphenoxy)-3-(propylamino)propan-2-ol
CID 63647463
but-2-enedioic acid;1-[2-[3-(1H-indol-4-yl)propyl]phenoxy]-3-(propylamino)propan-2-ol
CID 53446663
(2S)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propane-1,2-diol
CID 134296045
but-2-enedioate;1-[2-[3-(1H-indol-4-yl)propyl]phenoxy]-3-(propylamino)propan-2-ol
CID 53422007
3-(3,4-dimethoxyphenyl)-1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]propan-1-ol
CID 13374992
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764
4-[[2-hydroxy-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]-methylamino]-4-oxobutanoic acid
CID 169437800
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
CID 21253509
1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one;hydrochloride
CID 3062692
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one (CID 14369347) is 3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one is CCCNCC(O)COc1ccccc1CCC(=O)c1cccc(OC)c1.
What is the InChIKey of 3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one?
The InChIKey is VSPBVBWXNOZCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-3-13-23-15-19(24)16-27-22-10-5-4-7-17(22)11-12-21(25)18-8-6-9-20(14-18)26-2/h4-10,14,19,23-24H,3,11-13,15-16H2,1-2H3.
What are the key properties of 3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one?
3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one has a molecular weight of 371.48 g/mol, XLogP of 3.25, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-1-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 14369347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).