2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one

C17H27NO2 — CID 79061219

IUPAC2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
SMILESCCC(CC)(C(=O)c1ccc(OC(C)C)cc1)N(C)C
InChIInChI=1S/C17H27NO2/c1-7-17(8-2,18(5)6)16(19)14-9-11-15(12-10-14)20-13(3)4/h9-13H,7-8H2,1-6H3
InChIKeyMMBUNFWQEZVMSG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.78
Rot. Bonds7

About 2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one

2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one (PubChem CID 79061219) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
PubChem CID79061219
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
SMILESCCC(CC)(C(=O)c1ccc(OC(C)C)cc1)N(C)C
InChIInChI=1S/C17H27NO2/c1-7-17(8-2,18(5)6)16(19)14-9-11-15(12-10-14)20-13(3)4/h9-13H,7-8H2,1-6H3
InChIKeyMMBUNFWQEZVMSG-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 116710279
2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
CID 62961699
2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 116557003
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 114037996
N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide
CID 113426450
2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one
CID 143086389
N-(2-methylbutan-2-yl)-4-propan-2-yloxybenzamide
CID 56920644
2-benzyl-2-(dimethylamino)-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;methane
CID 158870745
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252
2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 22111343
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one?
The IUPAC name of 2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one (CID 79061219) is 2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one is CCC(CC)(C(=O)c1ccc(OC(C)C)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one?
The InChIKey is MMBUNFWQEZVMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-7-17(8-2,18(5)6)16(19)14-9-11-15(12-10-14)20-13(3)4/h9-13H,7-8H2,1-6H3.
What are the key properties of 2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one?
2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one has a molecular weight of 277.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one is sourced from PubChem (CID 79061219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).