1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone

C18H29NO — CID 63565743

IUPAC1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
SMILESCCC(CC)CN(CC)CC(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H29NO/c1-6-16(7-2)12-19(8-3)13-18(20)17-11-14(4)9-10-15(17)5/h9-11,16H,6-8,12-13H2,1-5H3
InChIKeyFBBSNJSRXOHISU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds8

About 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone

1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone (PubChem CID 63565743) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
PubChem CID63565743
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
SMILESCCC(CC)CN(CC)CC(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H29NO/c1-6-16(7-2)12-19(8-3)13-18(20)17-11-14(4)9-10-15(17)5/h9-11,16H,6-8,12-13H2,1-5H3
InChIKeyFBBSNJSRXOHISU-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone
CID 79476690
3-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-ethylamino]-2-methylpropanenitrile
CID 62036198
2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 62051512
1-(2,5-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964640
1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol
CID 63471145
2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795911
1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796904
2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-methylamino]acetic acid
CID 82476152
1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 61437544
1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
CID 63566838
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone (CID 63565743) is 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone is CCC(CC)CN(CC)CC(=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone?
The InChIKey is FBBSNJSRXOHISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-16(7-2)12-19(8-3)13-18(20)17-11-14(4)9-10-15(17)5/h9-11,16H,6-8,12-13H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone?
1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone has a molecular weight of 275.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone is sourced from PubChem (CID 63565743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).