[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone

C20H28N2O3 — CID 56906924

IUPAC[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone
SMILESC[C@@H]1CN(C2(C(=O)N3CCOCC3)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C20H28N2O3/c1-15-13-22(14-16(2)25-15)20(19(23)21-7-9-24-10-8-21)11-17-5-3-4-6-18(17)12-20/h3-6,15-16H,7-14H2,1-2H3/t15-,16+
InChIKeyFFLIWSOZETVPFO-IYBDPMFKSA-N
MW344.46 g/mol
LogP1.49
Rot. Bonds2

About [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone (PubChem CID 56906924) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone
PubChem CID56906924
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone
SMILESC[C@@H]1CN(C2(C(=O)N3CCOCC3)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C20H28N2O3/c1-15-13-22(14-16(2)25-15)20(19(23)21-7-9-24-10-8-21)11-17-5-3-4-6-18(17)12-20/h3-6,15-16H,7-14H2,1-2H3/t15-,16+
InChIKeyFFLIWSOZETVPFO-IYBDPMFKSA-N
XLogP1.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-9H-fluorene-9-carboxamide
CID 2459059
N-methyl-2-[(4-methyl-1-piperazinyl)carbonyl]-N-(2-phenylethyl)-2-indanamine
CID 56898469
Methanone, (2-indanyl)(4-morpholyl)-
CID 576078
4-Morpholineacetamide, N-(1,3-dioxo-2-ethyl-2-indanyl)-N-methyl-
CID 3042221
N-ethyl-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-2-(4-morpholinyl)acetamide
CID 15945623
(3S)-1-({2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-2,3-dihydro-1H-inden-2-yl}carbonyl)-3-pyrrolidinol
CID 25279092
N-[2-(acetylamino)ethyl]-2-(1-piperidinyl)-2-indanecarboxamide
CID 26327603
(2R*,6S*)-2,6-dimethyl-4-{[2-(1-piperidinyl)-2,3-dihydro-1H-inden-2-yl]carbonyl}morpholine
CID 26398421
(2R*,6S*)-2,6-dimethyl-4-[2-(4-thiomorpholinylcarbonyl)-2,3-dihydro-1H-inden-2-yl]morpholine
CID 28311899
1-({2-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-2,3-dihydro-1H-inden-2-yl}carbonyl)azepane
CID 28392187
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(1-piperidinyl)-2-indanecarboxamide
CID 42211217
2-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-N,N-dimethyl-2-indanecarboxamide
CID 56886738

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone (CID 56906924) is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone is C[C@@H]1CN(C2(C(=O)N3CCOCC3)Cc3ccccc3C2)C[C@H](C)O1.
What is the InChIKey of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone?
The InChIKey is FFLIWSOZETVPFO-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15-13-22(14-16(2)25-15)20(19(23)21-7-9-24-10-8-21)11-17-5-3-4-6-18(17)12-20/h3-6,15-16H,7-14H2,1-2H3/t15-,16+.
What are the key properties of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone?
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone has a molecular weight of 344.46 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56906924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).