bis[3-(morpholin-4-ylmethyl)phenyl]methanone

C23H28N2O3 — CID 152548032

IUPACbis[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2CCOCC2)c1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H28N2O3/c26-23(21-5-1-3-19(15-21)17-24-7-11-27-12-8-24)22-6-2-4-20(16-22)18-25-9-13-28-14-10-25/h1-6,15-16H,7-14,17-18H2
InChIKeyYMWYUHARXKPJCF-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.58
Rot. Bonds6

About bis[3-(morpholin-4-ylmethyl)phenyl]methanone

bis[3-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 152548032) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is bis[3-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Namebis[3-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID152548032
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namebis[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2CCOCC2)c1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H28N2O3/c26-23(21-5-1-3-19(15-21)17-24-7-11-27-12-8-24)22-6-2-4-20(16-22)18-25-9-13-28-14-10-25/h1-6,15-16H,7-14,17-18H2
InChIKeyYMWYUHARXKPJCF-UHFFFAOYSA-N
XLogP2.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724704
2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724674
(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724703
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
N-benzhydryl-3-(morpholin-4-ylmethyl)benzamide
CID 43908479
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
(3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride
CID 122147940
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268

Frequently Asked Questions

What is the IUPAC name of bis[3-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of bis[3-(morpholin-4-ylmethyl)phenyl]methanone (CID 152548032) is bis[3-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for bis[3-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for bis[3-(morpholin-4-ylmethyl)phenyl]methanone is O=C(c1cccc(CN2CCOCC2)c1)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of bis[3-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is YMWYUHARXKPJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-23(21-5-1-3-19(15-21)17-24-7-11-27-12-8-24)22-6-2-4-20(16-22)18-25-9-13-28-14-10-25/h1-6,15-16H,7-14,17-18H2.
What are the key properties of bis[3-(morpholin-4-ylmethyl)phenyl]methanone?
bis[3-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 380.49 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 152548032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).