2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone

C14H18INO2 — CID 43797578

IUPAC2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone
SMILESCCC1COCCN1CC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H18INO2/c1-2-13-10-18-8-7-16(13)9-14(17)11-3-5-12(15)6-4-11/h3-6,13H,2,7-10H2,1H3
InChIKeyQEXQWYWCWUMWNV-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.58
Rot. Bonds4

About 2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone

2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone (PubChem CID 43797578) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone
PubChem CID43797578
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone
SMILESCCC1COCCN1CC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H18INO2/c1-2-13-10-18-8-7-16(13)9-14(17)11-3-5-12(15)6-4-11/h3-6,13H,2,7-10H2,1H3
InChIKeyQEXQWYWCWUMWNV-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
CID 43797584
2-(3-ethylmorpholin-4-yl)-1-(4-methoxyphenyl)ethanone
CID 43797594
2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 43797605
1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone
CID 43797577
1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one
CID 43793216
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62889137
2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 61421640
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228407
4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid
CID 77006511
4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83095436
4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43613257

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone (CID 43797578) is 2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone is CCC1COCCN1CC(=O)c1ccc(I)cc1.
What is the InChIKey of 2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone?
The InChIKey is QEXQWYWCWUMWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-2-13-10-18-8-7-16(13)9-14(17)11-3-5-12(15)6-4-11/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone?
2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone has a molecular weight of 359.21 g/mol, XLogP of 2.58, 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-(4-iodophenyl)ethanone is sourced from PubChem (CID 43797578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).