1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one

C16H24ClNO — CID 79476971

IUPAC1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one
SMILESCCC(C)CN(CC)C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-5-12(3)11-18(6-2)13(4)16(19)14-7-9-15(17)10-8-14/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyNGVKTEDWSZTBDX-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.28
Rot. Bonds7

About 1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one

1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one (PubChem CID 79476971) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one
PubChem CID79476971
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one
SMILESCCC(C)CN(CC)C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-5-12(3)11-18(6-2)13(4)16(19)14-7-9-15(17)10-8-14/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyNGVKTEDWSZTBDX-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one (CID 79476971) is 1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one is CCC(C)CN(CC)C(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one?
The InChIKey is NGVKTEDWSZTBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-5-12(3)11-18(6-2)13(4)16(19)14-7-9-15(17)10-8-14/h7-10,12-13H,5-6,11H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one?
1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one has a molecular weight of 281.83 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one is sourced from PubChem (CID 79476971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).