N-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide

C25H29F3N2O2 — CID 11236190

IUPACN-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESCc1ccc(C(OC2CN(C(=O)NC3CCCCC3)C2)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C25H29F3N2O2/c1-17-11-13-18(14-12-17)23(21-9-5-6-10-22(21)25(26,27)28)32-20-15-30(16-20)24(31)29-19-7-3-2-4-8-19/h5-6,9-14,19-20,23H,2-4,7-8,15-16H2,1H3,(H,29,31)
InChIKeyUJOARMFZGDVVQP-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.85
Rot. Bonds5

About N-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide

N-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (PubChem CID 11236190) has the molecular formula C25H29F3N2O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
PubChem CID11236190
Molecular FormulaC25H29F3N2O2
Molecular Weight446.51 g/mol
Exact Mass446.22
IUPAC NameN-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESCc1ccc(C(OC2CN(C(=O)NC3CCCCC3)C2)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C25H29F3N2O2/c1-17-11-13-18(14-12-17)23(21-9-5-6-10-22(21)25(26,27)28)32-20-15-30(16-20)24(31)29-19-7-3-2-4-8-19/h5-6,9-14,19-20,23H,2-4,7-8,15-16H2,1H3,(H,29,31)
InChIKeyUJOARMFZGDVVQP-UHFFFAOYSA-N
XLogP5.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (CID 11236190) is N-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is Cc1ccc(C(OC2CN(C(=O)NC3CCCCC3)C2)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The InChIKey is UJOARMFZGDVVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O2/c1-17-11-13-18(14-12-17)23(21-9-5-6-10-22(21)25(26,27)28)32-20-15-30(16-20)24(31)29-19-7-3-2-4-8-19/h5-6,9-14,19-20,23H,2-4,7-8,15-16H2,1H3,(H,29,31).
What are the key properties of N-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
N-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is sourced from PubChem (CID 11236190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).