(5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone

C20H23NO3 — CID 42904647

IUPAC(5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone
SMILESCCC1COC(C)CN1C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-3-17-14-23-15(2)13-21(17)20(22)16-9-11-19(12-10-16)24-18-7-5-4-6-8-18/h4-12,15,17H,3,13-14H2,1-2H3
InChIKeyUSEVFGBXFDSJRU-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.12
Rot. Bonds4

About (5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone

(5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone (PubChem CID 42904647) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone
PubChem CID42904647
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone
SMILESCCC1COC(C)CN1C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-3-17-14-23-15(2)13-21(17)20(22)16-9-11-19(12-10-16)24-18-7-5-4-6-8-18/h4-12,15,17H,3,13-14H2,1-2H3
InChIKeyUSEVFGBXFDSJRU-UHFFFAOYSA-N
XLogP4.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863
(5-ethyl-2-methylmorpholin-4-yl)-(1H-indol-6-yl)methanone
CID 61060054
(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60628169
(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61093877
2,3-dihydro-1H-isoindol-5-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103998009
(3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61094264
6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 61424915
(5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 60717314
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzonitrile
CID 60645396
6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 43578297
(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103755584

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone?
The IUPAC name of (5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone (CID 42904647) is (5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone.
What is the SMILES notation for (5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone?
The canonical SMILES for (5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone is CCC1COC(C)CN1C(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone?
The InChIKey is USEVFGBXFDSJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-17-14-23-15(2)13-21(17)20(22)16-9-11-19(12-10-16)24-18-7-5-4-6-8-18/h4-12,15,17H,3,13-14H2,1-2H3.
What are the key properties of (5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone?
(5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 42904647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).