2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate

C20H23F3N2O3 — CID 11552998

IUPAC2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
SMILESCOCCOC(=O)Nc1c(C)cc(CNc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C20H23F3N2O3/c1-13-10-15(11-14(2)18(13)25-19(26)28-9-8-27-3)12-24-17-6-4-16(5-7-17)20(21,22)23/h4-7,10-11,24H,8-9,12H2,1-3H3,(H,25,26)
InChIKeyUYUQLIZCUOSRRQ-UHFFFAOYSA-N
MW396.41 g/mol
LogP5.13
Rot. Bonds7

About 2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate

2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate (PubChem CID 11552998) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
PubChem CID11552998
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC Name2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
SMILESCOCCOC(=O)Nc1c(C)cc(CNc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C20H23F3N2O3/c1-13-10-15(11-14(2)18(13)25-19(26)28-9-8-27-3)12-24-17-6-4-16(5-7-17)20(21,22)23/h4-7,10-11,24H,8-9,12H2,1-3H3,(H,25,26)
InChIKeyUYUQLIZCUOSRRQ-UHFFFAOYSA-N
XLogP5.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate (CID 11552998) is 2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate is COCCOC(=O)Nc1c(C)cc(CNc2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of 2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The InChIKey is UYUQLIZCUOSRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-13-10-15(11-14(2)18(13)25-19(26)28-9-8-27-3)12-24-17-6-4-16(5-7-17)20(21,22)23/h4-7,10-11,24H,8-9,12H2,1-3H3,(H,25,26).
What are the key properties of 2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate has a molecular weight of 396.41 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate is sourced from PubChem (CID 11552998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).