(2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone

C20H24NO3+ — CID 6940851

IUPAC(2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone
SMILESCCOc1ccc(C(=O)[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C20H23NO3/c1-2-24-18-10-8-17(9-11-18)20(22)19(16-6-4-3-5-7-16)21-12-14-23-15-13-21/h3-11,19H,2,12-15H2,1H3/p+1/t19-/m1/s1
InChIKeyFLVDMPDJNFZODG-LJQANCHMSA-O
MW326.42 g/mol
LogP1.92
Rot. Bonds6

About (2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone

(2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone (PubChem CID 6940851) has the molecular formula C20H24NO3+ and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone
PubChem CID6940851
Molecular FormulaC20H24NO3+
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone
SMILESCCOc1ccc(C(=O)[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C20H23NO3/c1-2-24-18-10-8-17(9-11-18)20(22)19(16-6-4-3-5-7-16)21-12-14-23-15-13-21/h3-11,19H,2,12-15H2,1H3/p+1/t19-/m1/s1
InChIKeyFLVDMPDJNFZODG-LJQANCHMSA-O
XLogP1.92
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)ethanone chloride
CID 44657749
1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride
CID 53347221
1,6-bis(4-ethoxyphenyl)-2,5-bis(morpholin-4-ium-4-ylmethyl)hexane-1,6-dione
CID 4555483
(2R)-1-(4-ethoxyphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-one
CID 6922135
2-(4-ethylphenoxy)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9218132
2-(4-methoxyphenoxy)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9217593
(2R)-1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ium-1-ylpropan-1-one
CID 2502517
1-(4-ethoxyphenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656522
1-(4-ethoxyphenyl)-3-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656513
1-morpholin-4-ium-4-ylpropan-2-yl 4-ethoxybenzoate chloride
CID 44656541
3,4,5-trimethoxy-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9214506
(2R,3S)-1-(4-butoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
CID 92759233

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone?
The IUPAC name of (2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone (CID 6940851) is (2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone.
What is the SMILES notation for (2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone?
The canonical SMILES for (2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone is CCOc1ccc(C(=O)[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1.
What is the InChIKey of (2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone?
The InChIKey is FLVDMPDJNFZODG-LJQANCHMSA-O. The full InChI is InChI=1S/C20H23NO3/c1-2-24-18-10-8-17(9-11-18)20(22)19(16-6-4-3-5-7-16)21-12-14-23-15-13-21/h3-11,19H,2,12-15H2,1H3/p+1/t19-/m1/s1.
What are the key properties of (2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone?
(2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone has a molecular weight of 326.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethoxyphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanone is sourced from PubChem (CID 6940851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).