(2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide

C16H21N3O3 — CID 128987041

IUPAC(2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(CC(=O)N2CCc3ccccc32)[C@@H]1C(N)=O
InChIInChI=1S/C16H21N3O3/c1-11-15(16(17)21)18(8-9-22-11)10-14(20)19-7-6-12-4-2-3-5-13(12)19/h2-5,11,15H,6-10H2,1H3,(H2,17,21)/t11-,15+/m1/s1
InChIKeyUAFUNZCCNIBPFP-ABAIWWIYSA-N
MW303.36 g/mol
LogP0.15
Rot. Bonds3

About (2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 128987041) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
PubChem CID128987041
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(CC(=O)N2CCc3ccccc32)[C@@H]1C(N)=O
InChIInChI=1S/C16H21N3O3/c1-11-15(16(17)21)18(8-9-22-11)10-14(20)19-7-6-12-4-2-3-5-13(12)19/h2-5,11,15H,6-10H2,1H3,(H2,17,21)/t11-,15+/m1/s1
InChIKeyUAFUNZCCNIBPFP-ABAIWWIYSA-N
XLogP0.15
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 115486415
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 162628448
1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 17479588
1-(2,3-dihydroindol-1-yl)-2-[(2S,6R)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone
CID 99778929
1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone
CID 99778930
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163343391
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
1-(2,3-dihydroindol-1-yl)-2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]ethanone
CID 163309338
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 95321191

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide (CID 128987041) is (2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN(CC(=O)N2CCc3ccccc32)[C@@H]1C(N)=O.
What is the InChIKey of (2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is UAFUNZCCNIBPFP-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-15(16(17)21)18(8-9-22-11)10-14(20)19-7-6-12-4-2-3-5-13(12)19/h2-5,11,15H,6-10H2,1H3,(H2,17,21)/t11-,15+/m1/s1.
What are the key properties of (2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 128987041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).