2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

C12H19F3N2O — CID 112723969

IUPAC2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESC=CCNCC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O/c1-2-6-16-8-11(18)17-10-5-3-4-9(7-10)12(13,14)15/h2,9-10,16H,1,3-8H2,(H,17,18)
InChIKeyTZNZNUJCMFAZEN-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.00
Rot. Bonds5

About 2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 112723969) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID112723969
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESC=CCNCC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O/c1-2-6-16-8-11(18)17-10-5-3-4-9(7-10)12(13,14)15/h2,9-10,16H,1,3-8H2,(H,17,18)
InChIKeyTZNZNUJCMFAZEN-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 112723969) is 2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is C=CCNCC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is TZNZNUJCMFAZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-2-6-16-8-11(18)17-10-5-3-4-9(7-10)12(13,14)15/h2,9-10,16H,1,3-8H2,(H,17,18).
What are the key properties of 2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 264.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 112723969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).