6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one

C21H22N2O4 — CID 128535330

IUPAC6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one
SMILESCN1C(=O)COC(C(=O)N2CC(CO)c3ccccc32)C1c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-22-18(25)13-27-20(19(22)14-7-3-2-4-8-14)21(26)23-11-15(12-24)16-9-5-6-10-17(16)23/h2-10,15,19-20,24H,11-13H2,1H3
InChIKeyQXQCBHNGKBGLLB-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.71
Rot. Bonds3

About 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one

6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one (PubChem CID 128535330) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one
PubChem CID128535330
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one
SMILESCN1C(=O)COC(C(=O)N2CC(CO)c3ccccc32)C1c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-22-18(25)13-27-20(19(22)14-7-3-2-4-8-14)21(26)23-11-15(12-24)16-9-5-6-10-17(16)23/h2-10,15,19-20,24H,11-13H2,1H3
InChIKeyQXQCBHNGKBGLLB-UHFFFAOYSA-N
XLogP1.71
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 95738127
(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
CID 95738132
(5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one
CID 98768939
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943
2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid
CID 110165767
4-methyl-5-oxo-3-phenyl-N-(1-phenylethyl)morpholine-2-carboxamide
CID 71687662
(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738078
(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738039
(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738008
3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid
CID 110165774
4-methyl-5-oxo-3-phenyl-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 71687674
(5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 134698034

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one?
The IUPAC name of 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one (CID 128535330) is 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one.
What is the SMILES notation for 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one?
The canonical SMILES for 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one is CN1C(=O)COC(C(=O)N2CC(CO)c3ccccc32)C1c1ccccc1.
What is the InChIKey of 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one?
The InChIKey is QXQCBHNGKBGLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-22-18(25)13-27-20(19(22)14-7-3-2-4-8-14)21(26)23-11-15(12-24)16-9-5-6-10-17(16)23/h2-10,15,19-20,24H,11-13H2,1H3.
What are the key properties of 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one?
6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one has a molecular weight of 366.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-4-methyl-5-phenylmorpholin-3-one is sourced from PubChem (CID 128535330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).