methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate

C26H27F3N2O3 — CID 68690382

IUPACmethyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
SMILESCOC(=O)N(Cc1cccnc1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC
InChIInChI=1S/C26H27F3N2O3/c1-17(2)19-7-10-24(33-3)23(13-19)22-9-8-21(26(27,28)29)12-20(22)16-31(25(32)34-4)15-18-6-5-11-30-14-18/h5-14,17H,15-16H2,1-4H3
InChIKeyNYLPKUXVHYYFGC-UHFFFAOYSA-N
MW472.51 g/mol
LogP6.67
Rot. Bonds7

About methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate

methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate (PubChem CID 68690382) has the molecular formula C26H27F3N2O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
PubChem CID68690382
Molecular FormulaC26H27F3N2O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Namemethyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
SMILESCOC(=O)N(Cc1cccnc1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC
InChIInChI=1S/C26H27F3N2O3/c1-17(2)19-7-10-24(33-3)23(13-19)22-9-8-21(26(27,28)29)12-20(22)16-31(25(32)34-4)15-18-6-5-11-30-14-18/h5-14,17H,15-16H2,1-4H3
InChIKeyNYLPKUXVHYYFGC-UHFFFAOYSA-N
XLogP6.67
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.51
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate 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 methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate?
The IUPAC name of methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate (CID 68690382) is methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate?
The canonical SMILES for methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate is COC(=O)N(Cc1cccnc1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC.
What is the InChIKey of methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate?
The InChIKey is NYLPKUXVHYYFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O3/c1-17(2)19-7-10-24(33-3)23(13-19)22-9-8-21(26(27,28)29)12-20(22)16-31(25(32)34-4)15-18-6-5-11-30-14-18/h5-14,17H,15-16H2,1-4H3.
What are the key properties of methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate?
methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate has a molecular weight of 472.51 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 68690382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).