4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide

C16H25F3N2O — CID 70892520

IUPAC4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide
SMILESCCC(/C=C\C(C)N(C)C(=O)C1CC=C(N)CC1)C(F)(F)F
InChIInChI=1S/C16H25F3N2O/c1-4-13(16(17,18)19)8-5-11(2)21(3)15(22)12-6-9-14(20)10-7-12/h5,8-9,11-13H,4,6-7,10,20H2,1-3H3/b8-5-
InChIKeyWMYBQCKOZLASRI-YVMONPNESA-N
MW318.38 g/mol
LogP3.62
Rot. Bonds5

About 4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide

4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 70892520) has the molecular formula C16H25F3N2O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide
PubChem CID70892520
Molecular FormulaC16H25F3N2O
Molecular Weight318.38 g/mol
Exact Mass318.19
IUPAC Name4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide
SMILESCCC(/C=C\C(C)N(C)C(=O)C1CC=C(N)CC1)C(F)(F)F
InChIInChI=1S/C16H25F3N2O/c1-4-13(16(17,18)19)8-5-11(2)21(3)15(22)12-6-9-14(20)10-7-12/h5,8-9,11-13H,4,6-7,10,20H2,1-3H3/b8-5-
InChIKeyWMYBQCKOZLASRI-YVMONPNESA-N
XLogP3.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide (CID 70892520) is 4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide is CCC(/C=C\C(C)N(C)C(=O)C1CC=C(N)CC1)C(F)(F)F.
What is the InChIKey of 4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is WMYBQCKOZLASRI-YVMONPNESA-N. The full InChI is InChI=1S/C16H25F3N2O/c1-4-13(16(17,18)19)8-5-11(2)21(3)15(22)12-6-9-14(20)10-7-12/h5,8-9,11-13H,4,6-7,10,20H2,1-3H3/b8-5-.
What are the key properties of 4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide?
4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 70892520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).