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

C25H32N4O3 — CID 51640937

IUPACN'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
SMILESCN1CCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCOCC3)ccc21
InChIInChI=1S/C25H32N4O3/c1-28-12-10-21-17-20(7-8-22(21)28)23(29-13-15-32-16-14-29)18-27-25(31)24(30)26-11-9-19-5-3-2-4-6-19/h2-8,17,23H,9-16,18H2,1H3,(H,26,30)(H,27,31)/t23-/m0/s1
InChIKeyJTAXDIOSXBCRMW-QHCPKHFHSA-N
MW436.56 g/mol
LogP1.53
Rot. Bonds7

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

N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide (PubChem CID 51640937) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
PubChem CID51640937
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
SMILESCN1CCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCOCC3)ccc21
InChIInChI=1S/C25H32N4O3/c1-28-12-10-21-17-20(7-8-22(21)28)23(29-13-15-32-16-14-29)18-27-25(31)24(30)26-11-9-19-5-3-2-4-6-19/h2-8,17,23H,9-16,18H2,1H3,(H,26,30)(H,27,31)/t23-/m0/s1
InChIKeyJTAXDIOSXBCRMW-QHCPKHFHSA-N
XLogP1.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.53
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]-3-phenylpropanamide
CID 30575519
N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 30576488
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-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
CID 30576217
N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 30835257
2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575595
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]oxamide
CID 30576318
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 7645008
2-bromo-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575632
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 30576277
N'-(3-chloro-2-methylphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]oxamide
CID 30576494
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-N'-phenyloxamide
CID 51449135

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide (CID 51640937) is N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide is CN1CCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCOCC3)ccc21.
What is the InChIKey of N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide?
The InChIKey is JTAXDIOSXBCRMW-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-28-12-10-21-17-20(7-8-22(21)28)23(29-13-15-32-16-14-29)18-27-25(31)24(30)26-11-9-19-5-3-2-4-6-19/h2-8,17,23H,9-16,18H2,1H3,(H,26,30)(H,27,31)/t23-/m0/s1.
What are the key properties of N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide?
N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide has a molecular weight of 436.56 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 51640937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).