cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone

C23H27NO2 — CID 45196089

IUPACcyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone
SMILESO=C(C1CCC1)N1CCOC(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H27NO2/c25-23(20-12-7-13-20)24-14-15-26-21(17-24)16-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-22H,7,12-17H2
InChIKeyJZZXAZSJEWTMSU-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.24
Rot. Bonds5

About cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone

cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone (PubChem CID 45196089) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone
PubChem CID45196089
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Namecyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone
SMILESO=C(C1CCC1)N1CCOC(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H27NO2/c25-23(20-12-7-13-20)24-14-15-26-21(17-24)16-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-22H,7,12-17H2
InChIKeyJZZXAZSJEWTMSU-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one
CID 25367584
[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-cyclopentylmethanone
CID 95123744
1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione
CID 42376886
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol
CID 56862185
(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556
2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203547
2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 125133832

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone?
The IUPAC name of cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone (CID 45196089) is cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone?
The canonical SMILES for cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone is O=C(C1CCC1)N1CCOC(CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone?
The InChIKey is JZZXAZSJEWTMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c25-23(20-12-7-13-20)24-14-15-26-21(17-24)16-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-22H,7,12-17H2.
What are the key properties of cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone?
cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone has a molecular weight of 349.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 45196089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).