N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide

C12H17F3N2O — CID 143088403

IUPACN-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide
SMILESC=C/C(=C\C(=C)N(C)C(C)C(=O)NC)C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-6-10(12(13,14)15)7-8(2)17(5)9(3)11(18)16-4/h6-7,9H,1-2H2,3-5H3,(H,16,18)/b10-7+
InChIKeyKDLUDDYUVGCUSR-JXMROGBWSA-N
MW262.27 g/mol
LogP2.24
Rot. Bonds5

About N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide

N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide (PubChem CID 143088403) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide
PubChem CID143088403
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide
SMILESC=C/C(=C\C(=C)N(C)C(C)C(=O)NC)C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-6-10(12(13,14)15)7-8(2)17(5)9(3)11(18)16-4/h6-7,9H,1-2H2,3-5H3,(H,16,18)/b10-7+
InChIKeyKDLUDDYUVGCUSR-JXMROGBWSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide?
The IUPAC name of N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide (CID 143088403) is N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide.
What is the SMILES notation for N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide?
The canonical SMILES for N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide is C=C/C(=C\C(=C)N(C)C(C)C(=O)NC)C(F)(F)F.
What is the InChIKey of N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide?
The InChIKey is KDLUDDYUVGCUSR-JXMROGBWSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-6-10(12(13,14)15)7-8(2)17(5)9(3)11(18)16-4/h6-7,9H,1-2H2,3-5H3,(H,16,18)/b10-7+.
What are the key properties of N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide?
N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide has a molecular weight of 262.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide is sourced from PubChem (CID 143088403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).