3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one

C16H25NO2 — CID 3056738

IUPAC3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)CCN(CC)CC)cc1
InChIInChI=1S/C16H25NO2/c1-4-13-19-15-9-7-14(8-10-15)16(18)11-12-17(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3
InChIKeyUXHYNACQSORNAW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.39
Rot. Bonds9

About 3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one

3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one (PubChem CID 3056738) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
PubChem CID3056738
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)CCN(CC)CC)cc1
InChIInChI=1S/C16H25NO2/c1-4-13-19-15-9-7-14(8-10-15)16(18)11-12-17(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3
InChIKeyUXHYNACQSORNAW-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dibutylamino)-1-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 3066651
3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one
CID 82050339
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121
3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-one
CID 3609295
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one (CID 3056738) is 3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one is CCCOc1ccc(C(=O)CCN(CC)CC)cc1.
What is the InChIKey of 3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one?
The InChIKey is UXHYNACQSORNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-13-19-15-9-7-14(8-10-15)16(18)11-12-17(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3.
What are the key properties of 3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one?
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one is sourced from PubChem (CID 3056738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).