1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one

C16H23NO2 — CID 43794581

IUPAC1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)N2CCOC(C)C2)cc1
InChIInChI=1S/C16H23NO2/c1-4-14-5-7-15(8-6-14)16(18)13(3)17-9-10-19-12(2)11-17/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyLDGVGIPVJCVSIF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.54
Rot. Bonds4

About 1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one

1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one (PubChem CID 43794581) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one
PubChem CID43794581
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)N2CCOC(C)C2)cc1
InChIInChI=1S/C16H23NO2/c1-4-14-5-7-15(8-6-14)16(18)13(3)17-9-10-19-12(2)11-17/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyLDGVGIPVJCVSIF-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204702
4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]morpholine-2-carbonitrile
CID 79674302
N-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46527680
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135
2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one
CID 43228442
2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one
CID 64866930
N-(2-ethoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46677597
1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204175
1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 82256494
1-(2,5-dimethylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62974335
methyl 5-[1-(2-methyl-1,4-oxazepan-4-yl)ethyl]furan-2-carboxylate
CID 78920571
1-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1,4-diazepan-5-one
CID 63003643

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one (CID 43794581) is 1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one is CCc1ccc(C(=O)C(C)N2CCOC(C)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one?
The InChIKey is LDGVGIPVJCVSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-14-5-7-15(8-6-14)16(18)13(3)17-9-10-19-12(2)11-17/h5-8,12-13H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one?
1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 43794581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).