2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide

C16H23F3N2O — CID 143453470

IUPAC2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide
SMILESC=C/C=C\C(=C/C(C)/C(NCC(N)=O)=C(\C)CC)C(F)(F)F
InChIInChI=1S/C16H23F3N2O/c1-5-7-8-13(16(17,18)19)9-12(4)15(11(3)6-2)21-10-14(20)22/h5,7-9,12,21H,1,6,10H2,2-4H3,(H2,20,22)/b8-7-,13-9+,15-11-
InChIKeyXQMVXHWMJNCJIW-NIZJDLODSA-N
MW316.37 g/mol
LogP3.61
Rot. Bonds8

About 2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide

2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide (PubChem CID 143453470) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide
PubChem CID143453470
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide
SMILESC=C/C=C\C(=C/C(C)/C(NCC(N)=O)=C(\C)CC)C(F)(F)F
InChIInChI=1S/C16H23F3N2O/c1-5-7-8-13(16(17,18)19)9-12(4)15(11(3)6-2)21-10-14(20)22/h5,7-9,12,21H,1,6,10H2,2-4H3,(H2,20,22)/b8-7-,13-9+,15-11-
InChIKeyXQMVXHWMJNCJIW-NIZJDLODSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide with MolForge

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Related Compounds

N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide
CID 143088403
N-(2,2,2-trifluoroethyl)-2-[[(2E,4Z)-1,1,1-trifluoro-3-methylhepta-2,4-dien-2-yl]amino]acetamide
CID 169611248
2-(diethylamino)-N-[3-methyl-6-(trifluoromethyl)octa-2,4,5,7-tetraen-2-yl]acetamide
CID 176534103
2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide
CID 143979325
2-(ethylamino)-N-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]acetamide
CID 144442144
2-(5-Methylhexa-3,5-dienylamino)acetamide
CID 139967857
2-[[(2E,4Z)-5-methylhepta-2,4-dien-2-yl]amino]acetamide
CID 142823833
2-[[(2E,5Z)-6-methylocta-2,5,7-trien-2-yl]amino]acetamide
CID 143179325
2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide
CID 143398046
2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide
CID 146255629

Frequently Asked Questions

What is the IUPAC name of 2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide?
The IUPAC name of 2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide (CID 143453470) is 2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide?
The canonical SMILES for 2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide is C=C/C=C\C(=C/C(C)/C(NCC(N)=O)=C(\C)CC)C(F)(F)F.
What is the InChIKey of 2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide?
The InChIKey is XQMVXHWMJNCJIW-NIZJDLODSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-5-7-8-13(16(17,18)19)9-12(4)15(11(3)6-2)21-10-14(20)22/h5,7-9,12,21H,1,6,10H2,2-4H3,(H2,20,22)/b8-7-,13-9+,15-11-.
What are the key properties of 2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide?
2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide has a molecular weight of 316.37 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3Z,6E,8Z)-3,5-dimethyl-7-(trifluoromethyl)undeca-3,6,8,10-tetraen-4-yl]amino]acetamide is sourced from PubChem (CID 143453470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).