3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride

C20H34ClNO2 — CID 3066651

IUPAC3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride
SMILESCCCCN(CCCC)CCC(=O)c1ccc(OCCC)cc1.Cl
InChIInChI=1S/C20H33NO2.ClH/c1-4-7-14-21(15-8-5-2)16-13-20(22)18-9-11-19(12-10-18)23-17-6-3;/h9-12H,4-8,13-17H2,1-3H3;1H
InChIKeyFMGFWWWSVFKDLJ-UHFFFAOYSA-N
MW355.95 g/mol
LogP5.37
Rot. Bonds13

About 3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride

3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride (PubChem CID 3066651) has the molecular formula C20H34ClNO2 and a molecular weight of 355.95 g/mol. Its IUPAC name is 3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride
PubChem CID3066651
Molecular FormulaC20H34ClNO2
Molecular Weight355.95 g/mol
Exact Mass355.23
IUPAC Name3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride
SMILESCCCCN(CCCC)CCC(=O)c1ccc(OCCC)cc1.Cl
InChIInChI=1S/C20H33NO2.ClH/c1-4-7-14-21(15-8-5-2)16-13-20(22)18-9-11-19(12-10-18)23-17-6-3;/h9-12H,4-8,13-17H2,1-3H3;1H
InChIKeyFMGFWWWSVFKDLJ-UHFFFAOYSA-N
XLogP5.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.95
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
2-bromo-1-(4-butoxyphenyl)ethanone
CID 11288719
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
2-amino-1-(4-butoxyphenyl)ethanone;hydrochloride
CID 173461436
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
3-[butyl-[2-(4-methylphenoxy)ethyl]amino]propanoic acid
CID 82329434
1-(4-butoxyphenyl)-4,4,4-trifluorobutan-1-one
CID 105106823
(E)-1-[4-[3-(dibutylamino)propoxy]phenyl]-3-[4-[[(E)-1-[4-[3-(dibutylamino)propoxy]phenyl]-1-oxohept-2-en-3-yl]amino]butylamino]hept-2-en-1-one
CID 67451693
1-[4-(2-hydroxyethoxy)phenyl]decan-1-one
CID 43833904

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride (CID 3066651) is 3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride is CCCCN(CCCC)CCC(=O)c1ccc(OCCC)cc1.Cl.
What is the InChIKey of 3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is FMGFWWWSVFKDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2.ClH/c1-4-7-14-21(15-8-5-2)16-13-20(22)18-9-11-19(12-10-18)23-17-6-3;/h9-12H,4-8,13-17H2,1-3H3;1H.
What are the key properties of 3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride?
3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 355.95 g/mol, XLogP of 5.37, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 3066651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).