[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

C20H28N2O4 — CID 650042

IUPAC[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(C(=O)N3CC(C)OC(C)C3)c2)CC(C)O1
InChIInChI=1S/C20H28N2O4/c1-13-9-21(10-14(2)25-13)19(23)17-6-5-7-18(8-17)20(24)22-11-15(3)26-16(4)12-22/h5-8,13-16H,9-12H2,1-4H3
InChIKeyIHJDRYNYQYKMMS-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.19
Rot. Bonds2

About [3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 650042) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID650042
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(C(=O)N3CC(C)OC(C)C3)c2)CC(C)O1
InChIInChI=1S/C20H28N2O4/c1-13-9-21(10-14(2)25-13)19(23)17-6-5-7-18(8-17)20(24)22-11-15(3)26-16(4)12-22/h5-8,13-16H,9-12H2,1-4H3
InChIKeyIHJDRYNYQYKMMS-UHFFFAOYSA-N
XLogP2.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bavisant
CID 16061509
N-Benzoylmorpholine
CID 15114
2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 2826521
(4-Morpholin-4-ylsulfonylpiperazin-1-yl)-phenylmethanone
CID 973813
3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2200216
N-(2-keto-2-morpholino-ethyl)-3-methyl-benzamide
CID 16608759
Ethyl 1-{3-[4-(ethoxycarbonyl)piperidine-1-carbonyl]benzoyl}piperidine-4-carboxylate
CID 1087322
2-[3-(4-morpholinyl)-3-oxopropyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 2839452
[4-(2,6-Dimethylmorpholin-4-yl)piperidin-1-yl](phenyl)methanone
CID 660329
4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
(4-Methylpiperazin-1-yl)[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 847672
[9-[(3-Methylphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone
CID 52947320

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 650042) is [3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cccc(C(=O)N3CC(C)OC(C)C3)c2)CC(C)O1.
What is the InChIKey of [3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is IHJDRYNYQYKMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13-9-21(10-14(2)25-13)19(23)17-6-5-7-18(8-17)20(24)22-11-15(3)26-16(4)12-22/h5-8,13-16H,9-12H2,1-4H3.
What are the key properties of [3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 360.45 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 650042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).