2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone

C15H23NO2 — CID 82101917

IUPAC2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CNC(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-10-18-13-8-6-12(7-9-13)14(17)11-16-15(2,3)4/h6-9,16H,5,10-11H2,1-4H3
InChIKeyYINMILPYORQRMK-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.05
Rot. Bonds6

About 2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone

2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone (PubChem CID 82101917) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone
PubChem CID82101917
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CNC(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-10-18-13-8-6-12(7-9-13)14(17)11-16-15(2,3)4/h6-9,16H,5,10-11H2,1-4H3
InChIKeyYINMILPYORQRMK-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propoxyphenyl)-2-(propylamino)ethanone
CID 82101916
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
2-(pentylamino)-1-(4-propoxyphenyl)ethanone
CID 82101921
2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone
CID 65133875
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide
CID 103933503
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
4-butoxy-N-tert-butylbenzamide
CID 60643031
2-(4-propoxyanilino)acetic acid
CID 15310375
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone (CID 82101917) is 2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone is CCCOc1ccc(C(=O)CNC(C)(C)C)cc1.
What is the InChIKey of 2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone?
The InChIKey is YINMILPYORQRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-10-18-13-8-6-12(7-9-13)14(17)11-16-15(2,3)4/h6-9,16H,5,10-11H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone?
2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone has a molecular weight of 249.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone is sourced from PubChem (CID 82101917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).