3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one

C19H31NO3 — CID 82050339

IUPAC3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)CCN(CC)CC)cc1OCCC
InChIInChI=1S/C19H31NO3/c1-5-13-22-18-10-9-16(15-19(18)23-14-6-2)17(21)11-12-20(7-3)8-4/h9-10,15H,5-8,11-14H2,1-4H3
InChIKeyWZCCWMUGWPEHKQ-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.18
Rot. Bonds12

About 3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one

3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one (PubChem CID 82050339) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one
PubChem CID82050339
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)CCN(CC)CC)cc1OCCC
InChIInChI=1S/C19H31NO3/c1-5-13-22-18-10-9-16(15-19(18)23-14-6-2)17(21)11-12-20(7-3)8-4/h9-10,15H,5-8,11-14H2,1-4H3
InChIKeyWZCCWMUGWPEHKQ-UHFFFAOYSA-N
XLogP4.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738
1-(3-amino-4-propoxyphenyl)-3-(dipropylamino)propan-1-one
CID 93213391
3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride
CID 2925638
3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one
CID 82050380
1-(3-amino-4-propoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-one
CID 82064948
2-bromo-1-(4-methoxy-3-propoxyphenyl)ethanone
CID 54341335
3-amino-1-(3,4-dipropoxyphenyl)butan-1-one
CID 81462222
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate;trihydrochloride
CID 67947052
2-(diethylamino)ethyl 4-butoxy-3-ethoxybenzoate
CID 23423702
2-(diethylamino)ethyl 3,4-diethoxybenzoate
CID 23423700
(E)-3-(3,4-dipropoxyphenyl)hex-2-enoic acid
CID 83957950
1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone
CID 82164344

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one (CID 82050339) is 3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one is CCCOc1ccc(C(=O)CCN(CC)CC)cc1OCCC.
What is the InChIKey of 3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one?
The InChIKey is WZCCWMUGWPEHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-5-13-22-18-10-9-16(15-19(18)23-14-6-2)17(21)11-12-20(7-3)8-4/h9-10,15H,5-8,11-14H2,1-4H3.
What are the key properties of 3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one?
3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one has a molecular weight of 321.46 g/mol, XLogP of 4.18, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one is sourced from PubChem (CID 82050339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).