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

C20H28N2O4 — CID 618918

IUPAC[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(C(=O)N3CC(C)OC(C)C3)cc2)CC(C)O1
InChIInChI=1S/C20H28N2O4/c1-13-9-21(10-14(2)25-13)19(23)17-5-7-18(8-6-17)20(24)22-11-15(3)26-16(4)12-22/h5-8,13-16H,9-12H2,1-4H3
InChIKeyZFOIRJHAPRYDNM-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.19
Rot. Bonds2

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

[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 618918) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID618918
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(C(=O)N3CC(C)OC(C)C3)cc2)CC(C)O1
InChIInChI=1S/C20H28N2O4/c1-13-9-21(10-14(2)25-13)19(23)17-5-7-18(8-6-17)20(24)22-11-15(3)26-16(4)12-22/h5-8,13-16H,9-12H2,1-4H3
InChIKeyZFOIRJHAPRYDNM-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

4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
CID 34280429
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]urea
CID 42915501
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one
CID 919353

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 618918) is [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(C(=O)N3CC(C)OC(C)C3)cc2)CC(C)O1.
What is the InChIKey of [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is ZFOIRJHAPRYDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13-9-21(10-14(2)25-13)19(23)17-5-7-18(8-6-17)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 [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[4-(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 [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 618918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).