(2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide

C26H36F3NO2 — CID 139090762

IUPAC(2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide
SMILESCO[C@@](C(=O)N[C@@H](C)/C=C/C=C/[C@@H]1C[C@H](C)CC[C@H]1C(C)C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C26H36F3NO2/c1-18(2)23-16-15-19(3)17-21(23)12-10-9-11-20(4)30-24(31)25(32-5,26(27,28)29)22-13-7-6-8-14-22/h6-14,18-21,23H,15-17H2,1-5H3,(H,30,31)/b11-9+,12-10+/t19-,20+,21-,23+,25-/m1/s1
InChIKeyIJLWVRSCYWHHPQ-VYQNHQHNSA-N
MW451.57 g/mol
LogP6.42
Rot. Bonds8

About (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide

(2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide (PubChem CID 139090762) has the molecular formula C26H36F3NO2 and a molecular weight of 451.57 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide
PubChem CID139090762
Molecular FormulaC26H36F3NO2
Molecular Weight451.57 g/mol
Exact Mass451.27
IUPAC Name(2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide
SMILESCO[C@@](C(=O)N[C@@H](C)/C=C/C=C/[C@@H]1C[C@H](C)CC[C@H]1C(C)C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C26H36F3NO2/c1-18(2)23-16-15-19(3)17-21(23)12-10-9-11-20(4)30-24(31)25(32-5,26(27,28)29)22-13-7-6-8-14-22/h6-14,18-21,23H,15-17H2,1-5H3,(H,30,31)/b11-9+,12-10+/t19-,20+,21-,23+,25-/m1/s1
InChIKeyIJLWVRSCYWHHPQ-VYQNHQHNSA-N
XLogP6.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide 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 (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide (CID 139090762) is (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide is CO[C@@](C(=O)N[C@@H](C)/C=C/C=C/[C@@H]1C[C@H](C)CC[C@H]1C(C)C)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide?
The InChIKey is IJLWVRSCYWHHPQ-VYQNHQHNSA-N. The full InChI is InChI=1S/C26H36F3NO2/c1-18(2)23-16-15-19(3)17-21(23)12-10-9-11-20(4)30-24(31)25(32-5,26(27,28)29)22-13-7-6-8-14-22/h6-14,18-21,23H,15-17H2,1-5H3,(H,30,31)/b11-9+,12-10+/t19-,20+,21-,23+,25-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide?
(2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide has a molecular weight of 451.57 g/mol, XLogP of 6.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide is sourced from PubChem (CID 139090762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).