2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide

C22H32F3NO — CID 162407872

IUPAC2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide
SMILESC=C(CCCCCC)CC(C)(CCCNC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H32F3NO/c1-4-5-6-8-12-18(2)17-21(3,19-13-9-7-10-14-19)15-11-16-26-20(27)22(23,24)25/h7,9-10,13-14H,2,4-6,8,11-12,15-17H2,1,3H3,(H,26,27)
InChIKeyZTSQONHALLJCIC-UHFFFAOYSA-N
MW383.50 g/mol
LogP6.32
Rot. Bonds12

About 2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide

2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide (PubChem CID 162407872) has the molecular formula C22H32F3NO and a molecular weight of 383.50 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide
PubChem CID162407872
Molecular FormulaC22H32F3NO
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide
SMILESC=C(CCCCCC)CC(C)(CCCNC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H32F3NO/c1-4-5-6-8-12-18(2)17-21(3,19-13-9-7-10-14-19)15-11-16-26-20(27)22(23,24)25/h7,9-10,13-14H,2,4-6,8,11-12,15-17H2,1,3H3,(H,26,27)
InChIKeyZTSQONHALLJCIC-UHFFFAOYSA-N
XLogP6.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

hexadecyl-dimethyl-[5-(2-methylprop-2-enoylamino)-2-phenylpentan-2-yl]azanium
CID 88716465
N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide
CID 150813708
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
N-hexyl-3,3,3-triphenylpropanamide
CID 11417778
3-methyl-7-oxo-3-phenylheptanoic acid;3-methyl-3-phenylheptanoic acid
CID 143079797
7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid
CID 119227666
N-(3-anilinopropyl)nonanamide
CID 56586452
(3R)-3-methyl-3-(octanoylamino)-4-oxo-4-(2-phenylethylamino)butanoic acid
CID 162388155
4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934829
2,2-diphenyltridecan-7-one
CID 91284823
N-butyl-2,2,2-trifluoroacetamide;2-(3-phenylpropylamino)acetic acid
CID 142350928

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide (CID 162407872) is 2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide is C=C(CCCCCC)CC(C)(CCCNC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide?
The InChIKey is ZTSQONHALLJCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3NO/c1-4-5-6-8-12-18(2)17-21(3,19-13-9-7-10-14-19)15-11-16-26-20(27)22(23,24)25/h7,9-10,13-14H,2,4-6,8,11-12,15-17H2,1,3H3,(H,26,27).
What are the key properties of 2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide?
2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide has a molecular weight of 383.50 g/mol, XLogP of 6.32, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methyl-6-methylidene-4-phenyldodecyl)acetamide is sourced from PubChem (CID 162407872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).