2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one

C18H29NO2 — CID 26734

IUPAC2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one
SMILESCCC(OCCN(C(C)C)C(C)C)C(=O)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-6-17(18(20)16-10-8-7-9-11-16)21-13-12-19(14(2)3)15(4)5/h7-11,14-15,17H,6,12-13H2,1-5H3
InChIKeyONQIULKITQJUDK-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.78
Rot. Bonds9

About 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one

2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one (PubChem CID 26734) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one
PubChem CID26734
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one
SMILESCCC(OCCN(C(C)C)C(C)C)C(=O)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-6-17(18(20)16-10-8-7-9-11-16)21-13-12-19(14(2)3)15(4)5/h7-11,14-15,17H,6,12-13H2,1-5H3
InChIKeyONQIULKITQJUDK-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-(Di(propan-2-yl)amino)ethoxy)-1-phenylbutan-1-one--hydrogen chloride (1/1)
CID 26733
Butyrophenone, 3-amino-2-(2-(diisopropylamino)ethoxy)-, dihydrochloride
CID 52349
Mobecarb
CID 27362
5-(2-oxo-2-phenylethoxy)-2-(piperidin-1-ylmethyl)-4H-pyran-4-one
CID 51054662
2-(azepan-1-ylmethyl)-5-(2-oxo-2-phenylethoxy)-4H-pyran-4-one
CID 71709571
Methanone, (4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl-
CID 12296631
phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone
CID 71354584
1-Phenyl-2-propan-2-yloxypropan-1-one
CID 12610872
2-(2-Methoxy-3-propylamino-propoxy)-3-phenyl-propiophenon hydrochloride
CID 19010543
4-n-Hexyloxyacetophenon
CID 53842574
4-n-Decyloxyacetophenon
CID 53858894
4-n-Heptyloxyacetophenon
CID 53944588

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one (CID 26734) is 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one is CCC(OCCN(C(C)C)C(C)C)C(=O)c1ccccc1.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one?
The InChIKey is ONQIULKITQJUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-17(18(20)16-10-8-7-9-11-16)21-13-12-19(14(2)3)15(4)5/h7-11,14-15,17H,6,12-13H2,1-5H3.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one?
2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one has a molecular weight of 291.44 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethoxy]-1-phenylbutan-1-one is sourced from PubChem (CID 26734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).