N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide

C21H32N4O3 — CID 30576488

IUPACN'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1
InChIInChI=1S/C21H32N4O3/c1-15(2)13-22-20(26)21(27)23-14-19(25-8-10-28-11-9-25)16-4-5-18-17(12-16)6-7-24(18)3/h4-5,12,15,19H,6-11,13-14H2,1-3H3,(H,22,26)(H,23,27)/t19-/m1/s1
InChIKeyAQGYSZCVZGXIEJ-LJQANCHMSA-N
MW388.51 g/mol
LogP0.94
Rot. Bonds6

About N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide

N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide (PubChem CID 30576488) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
PubChem CID30576488
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1
InChIInChI=1S/C21H32N4O3/c1-15(2)13-22-20(26)21(27)23-14-19(25-8-10-28-11-9-25)16-4-5-18-17(12-16)6-7-24(18)3/h4-5,12,15,19H,6-11,13-14H2,1-3H3,(H,22,26)(H,23,27)/t19-/m1/s1
InChIKeyAQGYSZCVZGXIEJ-LJQANCHMSA-N
XLogP0.94
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
CID 30576217
N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 51640937
N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30576169
N'-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 30578000
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 30576277
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 18571899
4-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575734
N-ethyl-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576915
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]oxamide
CID 30576318
4-tert-butyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575720
4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575716
N'-(3-chloro-2-methylphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]oxamide
CID 30576494

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide (CID 30576488) is N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1.
What is the InChIKey of N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide?
The InChIKey is AQGYSZCVZGXIEJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-15(2)13-22-20(26)21(27)23-14-19(25-8-10-28-11-9-25)16-4-5-18-17(12-16)6-7-24(18)3/h4-5,12,15,19H,6-11,13-14H2,1-3H3,(H,22,26)(H,23,27)/t19-/m1/s1.
What are the key properties of N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide?
N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide has a molecular weight of 388.51 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 30576488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).