(2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide

C19H33F3N2O — CID 143239261

IUPAC(2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide
SMILESCC(C)CC(C)C1CCCCC1NC(=O)/C(=C/N(C)C)CC(F)(F)F
InChIInChI=1S/C19H33F3N2O/c1-13(2)10-14(3)16-8-6-7-9-17(16)23-18(25)15(12-24(4)5)11-19(20,21)22/h12-14,16-17H,6-11H2,1-5H3,(H,23,25)/b15-12+
InChIKeyYGXYLUSZCKFCIW-NTCAYCPXSA-N
MW362.48 g/mol
LogP4.74
Rot. Bonds7

About (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide

(2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide (PubChem CID 143239261) has the molecular formula C19H33F3N2O and a molecular weight of 362.48 g/mol. Its IUPAC name is (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide.

Molecular Properties

Compound Name(2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide
PubChem CID143239261
Molecular FormulaC19H33F3N2O
Molecular Weight362.48 g/mol
Exact Mass362.25
IUPAC Name(2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide
SMILESCC(C)CC(C)C1CCCCC1NC(=O)/C(=C/N(C)C)CC(F)(F)F
InChIInChI=1S/C19H33F3N2O/c1-13(2)10-14(3)16-8-6-7-9-17(16)23-18(25)15(12-24(4)5)11-19(20,21)22/h12-14,16-17H,6-11H2,1-5H3,(H,23,25)/b15-12+
InChIKeyYGXYLUSZCKFCIW-NTCAYCPXSA-N
XLogP4.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide?
The IUPAC name of (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide (CID 143239261) is (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide.
What is the SMILES notation for (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide?
The canonical SMILES for (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide is CC(C)CC(C)C1CCCCC1NC(=O)/C(=C/N(C)C)CC(F)(F)F.
What is the InChIKey of (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide?
The InChIKey is YGXYLUSZCKFCIW-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H33F3N2O/c1-13(2)10-14(3)16-8-6-7-9-17(16)23-18(25)15(12-24(4)5)11-19(20,21)22/h12-14,16-17H,6-11H2,1-5H3,(H,23,25)/b15-12+.
What are the key properties of (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide?
(2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide has a molecular weight of 362.48 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide is sourced from PubChem (CID 143239261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).