propyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate

C21H25F3N2O2 — CID 67268062

IUPACpropyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(NCc2ccc(C(C)C)cc2)cc1C(F)(F)F
InChIInChI=1S/C21H25F3N2O2/c1-4-11-28-20(27)26-19-10-9-17(12-18(19)21(22,23)24)25-13-15-5-7-16(8-6-15)14(2)3/h5-10,12,14,25H,4,11,13H2,1-3H3,(H,26,27)
InChIKeyJZWNUSQHKDGSPL-UHFFFAOYSA-N
MW394.44 g/mol
LogP6.40
Rot. Bonds7

About propyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate

propyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate (PubChem CID 67268062) has the molecular formula C21H25F3N2O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is propyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate
PubChem CID67268062
Molecular FormulaC21H25F3N2O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Namepropyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(NCc2ccc(C(C)C)cc2)cc1C(F)(F)F
InChIInChI=1S/C21H25F3N2O2/c1-4-11-28-20(27)26-19-10-9-17(12-18(19)21(22,23)24)25-13-15-5-7-16(8-6-15)14(2)3/h5-10,12,14,25H,4,11,13H2,1-3H3,(H,26,27)
InChIKeyJZWNUSQHKDGSPL-UHFFFAOYSA-N
XLogP6.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.44
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of propyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate (CID 67268062) is propyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for propyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for propyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate is CCCOC(=O)Nc1ccc(NCc2ccc(C(C)C)cc2)cc1C(F)(F)F.
What is the InChIKey of propyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is JZWNUSQHKDGSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O2/c1-4-11-28-20(27)26-19-10-9-17(12-18(19)21(22,23)24)25-13-15-5-7-16(8-6-15)14(2)3/h5-10,12,14,25H,4,11,13H2,1-3H3,(H,26,27).
What are the key properties of propyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate?
propyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 394.44 g/mol, XLogP of 6.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[4-[(4-propan-2-ylphenyl)methylamino]-2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 67268062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).