2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone

C17H25NO2 — CID 43797605

IUPAC2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
SMILESCCC1COCCN1CC(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H25NO2/c1-5-15-11-20-7-6-18(15)10-17(19)16-9-13(3)12(2)8-14(16)4/h8-9,15H,5-7,10-11H2,1-4H3
InChIKeyKKKLSAAEUDHQKH-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.91
Rot. Bonds4

About 2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone

2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 43797605) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID43797605
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
SMILESCCC1COCCN1CC(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H25NO2/c1-5-15-11-20-7-6-18(15)10-17(19)16-9-13(3)12(2)8-14(16)4/h8-9,15H,5-7,10-11H2,1-4H3
InChIKeyKKKLSAAEUDHQKH-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
CID 43797584
2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone
CID 43797578
2-(3-ethylmorpholin-4-yl)-1-(4-methoxyphenyl)ethanone
CID 43797594
2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone
CID 43219459
1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone
CID 43797577
4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101980
2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 114014611
4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid
CID 77006511
4-(2-bromoprop-2-enyl)-3-ethylmorpholine
CID 130927364
4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
CID 106793496
1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one
CID 43793216
2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
CID 43613412

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone (CID 43797605) is 2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone is CCC1COCCN1CC(=O)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is KKKLSAAEUDHQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-15-11-20-7-6-18(15)10-17(19)16-9-13(3)12(2)8-14(16)4/h8-9,15H,5-7,10-11H2,1-4H3.
What are the key properties of 2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone?
2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 43797605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).