2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide

C18H24F2N2O3 — CID 97081218

IUPAC2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESO=C(N[C@H](CN1CCOCC1)c1ccccc1)C(F)(F)C1(O)CCC1
InChIInChI=1S/C18H24F2N2O3/c19-18(20,17(24)7-4-8-17)16(23)21-15(14-5-2-1-3-6-14)13-22-9-11-25-12-10-22/h1-3,5-6,15,24H,4,7-13H2,(H,21,23)/t15-/m1/s1
InChIKeyMYJVYJFTHOVUQJ-OAHLLOKOSA-N
MW354.40 g/mol
LogP1.73
Rot. Bonds6

About 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (PubChem CID 97081218) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
PubChem CID97081218
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESO=C(N[C@H](CN1CCOCC1)c1ccccc1)C(F)(F)C1(O)CCC1
InChIInChI=1S/C18H24F2N2O3/c19-18(20,17(24)7-4-8-17)16(23)21-15(14-5-2-1-3-6-14)13-22-9-11-25-12-10-22/h1-3,5-6,15,24H,4,7-13H2,(H,21,23)/t15-/m1/s1
InChIKeyMYJVYJFTHOVUQJ-OAHLLOKOSA-N
XLogP1.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide with MolForge

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Related Compounds

[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
6-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-3,4-dihydro-2H-pyran-5-carboxamide
CID 102553631
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
(2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide
CID 100685852
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-2-(4-phenylphenoxy)acetamide
CID 9149042
1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 78860899
1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 112817992
N-(2-morpholin-4-yl-1-phenylethyl)-2-naphthalen-1-ylacetamide
CID 18166740

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (CID 97081218) is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is O=C(N[C@H](CN1CCOCC1)c1ccccc1)C(F)(F)C1(O)CCC1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The InChIKey is MYJVYJFTHOVUQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c19-18(20,17(24)7-4-8-17)16(23)21-15(14-5-2-1-3-6-14)13-22-9-11-25-12-10-22/h1-3,5-6,15,24H,4,7-13H2,(H,21,23)/t15-/m1/s1.
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide has a molecular weight of 354.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is sourced from PubChem (CID 97081218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).