(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone

C22H24N2O2 — CID 96997373

IUPAC(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESCCn1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c2ccccc21
InChIInChI=1S/C22H24N2O2/c1-3-23-14-19(18-11-7-8-12-20(18)23)22(25)24-13-16(2)26-21(15-24)17-9-5-4-6-10-17/h4-12,14,16,21H,3,13,15H2,1-2H3/t16-,21+/m0/s1
InChIKeyMUJGQCMOPAREEN-HRAATJIYSA-N
MW348.45 g/mol
LogP4.26
Rot. Bonds3

About (1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone

(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone (PubChem CID 96997373) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
PubChem CID96997373
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESCCn1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c2ccccc21
InChIInChI=1S/C22H24N2O2/c1-3-23-14-19(18-11-7-8-12-20(18)23)22(25)24-13-16(2)26-21(15-24)17-9-5-4-6-10-17/h4-12,14,16,21H,3,13,15H2,1-2H3/t16-,21+/m0/s1
InChIKeyMUJGQCMOPAREEN-HRAATJIYSA-N
XLogP4.26
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 30662185
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 52528403
[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 97003375
(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 110108182
[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95772487
N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide
CID 18582367
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537836
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95583774
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953
(2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914309
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 47914996

Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The IUPAC name of (1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone (CID 96997373) is (1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone is CCn1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c2ccccc21.
What is the InChIKey of (1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The InChIKey is MUJGQCMOPAREEN-HRAATJIYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-23-14-19(18-11-7-8-12-20(18)23)22(25)24-13-16(2)26-21(15-24)17-9-5-4-6-10-17/h4-12,14,16,21H,3,13,15H2,1-2H3/t16-,21+/m0/s1.
What are the key properties of (1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 96997373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).