N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide

C15H20N4O2 — CID 119117447

IUPACN'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCC1C(=O)Nc2ccccc21)N1CCOCC1
InChIInChI=1S/C15H20N4O2/c16-15(19-7-9-21-10-8-19)17-6-5-12-11-3-1-2-4-13(11)18-14(12)20/h1-4,12H,5-10H2,(H2,16,17)(H,18,20)
InChIKeyCESYCTPQBSRYCE-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.76
Rot. Bonds3

About N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide

N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide (PubChem CID 119117447) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide
PubChem CID119117447
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCC1C(=O)Nc2ccccc21)N1CCOCC1
InChIInChI=1S/C15H20N4O2/c16-15(19-7-9-21-10-8-19)17-6-5-12-11-3-1-2-4-13(11)18-14(12)20/h1-4,12H,5-10H2,(H2,16,17)(H,18,20)
InChIKeyCESYCTPQBSRYCE-UHFFFAOYSA-N
XLogP0.76
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine
CID 119117469
N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130657
N'-[2-(benzenesulfonyl)ethyl]morpholine-4-carboximidamide
CID 111065084
1-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperidine-4-carboxamide
CID 110694627
N'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 589482
N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide
CID 111816668
N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]morpholine-4-carboximidamide
CID 111818998
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
3-[4-(morpholin-4-ylmethyl)phenyl]-1,3-dihydroindol-2-one
CID 90080531
3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694649
3-(2-oxo-1,3-dihydroindol-3-yl)propanal
CID 86190152

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide (CID 119117447) is N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide is N/C(=N\CCC1C(=O)Nc2ccccc21)N1CCOCC1.
What is the InChIKey of N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide?
The InChIKey is CESYCTPQBSRYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-15(19-7-9-21-10-8-19)17-6-5-12-11-3-1-2-4-13(11)18-14(12)20/h1-4,12H,5-10H2,(H2,16,17)(H,18,20).
What are the key properties of N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide?
N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide has a molecular weight of 288.35 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 119117447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).