3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one

C19H31NO3 — CID 82050380

IUPAC3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one
SMILESCCN(CC)CCC(=O)c1ccc(OC(C)C)c(OC(C)C)c1
InChIInChI=1S/C19H31NO3/c1-7-20(8-2)12-11-17(21)16-9-10-18(22-14(3)4)19(13-16)23-15(5)6/h9-10,13-15H,7-8,11-12H2,1-6H3
InChIKeyYZHNVHBBSDEVAV-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.18
Rot. Bonds10

About 3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one

3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one (PubChem CID 82050380) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one
PubChem CID82050380
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one
SMILESCCN(CC)CCC(=O)c1ccc(OC(C)C)c(OC(C)C)c1
InChIInChI=1S/C19H31NO3/c1-7-20(8-2)12-11-17(21)16-9-10-18(22-14(3)4)19(13-16)23-15(5)6/h9-10,13-15H,7-8,11-12H2,1-6H3
InChIKeyYZHNVHBBSDEVAV-UHFFFAOYSA-N
XLogP4.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
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-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride
CID 2925638
3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one
CID 82050339
1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544
1-(3-amino-4-propan-2-yloxyphenyl)-3-[butyl(methyl)amino]propan-1-one
CID 82064965
2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82051566
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738
1-(3-tert-butyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82263816
4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one
CID 167489420
1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one
CID 82051260
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
2-bromo-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanone
CID 82489135

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one?
The IUPAC name of 3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one (CID 82050380) is 3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one is CCN(CC)CCC(=O)c1ccc(OC(C)C)c(OC(C)C)c1.
What is the InChIKey of 3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one?
The InChIKey is YZHNVHBBSDEVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-7-20(8-2)12-11-17(21)16-9-10-18(22-14(3)4)19(13-16)23-15(5)6/h9-10,13-15H,7-8,11-12H2,1-6H3.
What are the key properties of 3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one?
3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one has a molecular weight of 321.46 g/mol, XLogP of 4.18, 10 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-di(propan-2-yloxy)phenyl]propan-1-one is sourced from PubChem (CID 82050380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).