N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide

C23H33FN4O2 — CID 86895516

IUPACN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
SMILESCc1cnn(CC2CN(CC(=O)NC(CC(C)(C)C)c3ccc(F)cc3)CCO2)c1
InChIInChI=1S/C23H33FN4O2/c1-17-12-25-28(13-17)15-20-14-27(9-10-30-20)16-22(29)26-21(11-23(2,3)4)18-5-7-19(24)8-6-18/h5-8,12-13,20-21H,9-11,14-16H2,1-4H3,(H,26,29)
InChIKeySAYCSFBXXZVGEQ-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.33
Rot. Bonds7

About N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide

N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide (PubChem CID 86895516) has the molecular formula C23H33FN4O2 and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
PubChem CID86895516
Molecular FormulaC23H33FN4O2
Molecular Weight416.54 g/mol
Exact Mass416.26
IUPAC NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
SMILESCc1cnn(CC2CN(CC(=O)NC(CC(C)(C)C)c3ccc(F)cc3)CCO2)c1
InChIInChI=1S/C23H33FN4O2/c1-17-12-25-28(13-17)15-20-14-27(9-10-30-20)16-22(29)26-21(11-23(2,3)4)18-5-7-19(24)8-6-18/h5-8,12-13,20-21H,9-11,14-16H2,1-4H3,(H,26,29)
InChIKeySAYCSFBXXZVGEQ-UHFFFAOYSA-N
XLogP3.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79834633
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920123
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95291335
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-thiomorpholin-4-ylacetamide
CID 86889513
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 98153752
(2R)-1-(4-fluorophenoxy)-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 100841995
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 95383272
2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
CID 86895470
N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95277610
(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol
CID 100841984
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 87017122
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502166

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide (CID 86895516) is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide is Cc1cnn(CC2CN(CC(=O)NC(CC(C)(C)C)c3ccc(F)cc3)CCO2)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide?
The InChIKey is SAYCSFBXXZVGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O2/c1-17-12-25-28(13-17)15-20-14-27(9-10-30-20)16-22(29)26-21(11-23(2,3)4)18-5-7-19(24)8-6-18/h5-8,12-13,20-21H,9-11,14-16H2,1-4H3,(H,26,29).
What are the key properties of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide?
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 86895516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).