propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

C28H32F2N2O4 — CID 59425300

IUPACpropan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1
InChIInChI=1S/C28H32F2N2O4/c1-17(2)35-28(33)31-19-8-6-18(7-9-19)26-25(27(29)30)23-11-10-22(36-21-12-14-34-15-13-21)16-24(23)32(26)20-4-3-5-20/h6-11,16-17,20-21,27H,3-5,12-15H2,1-2H3,(H,31,33)
InChIKeySAHUOFBCGAKAAE-UHFFFAOYSA-N
MW498.57 g/mol
LogP7.49
Rot. Bonds7

About propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 59425300) has the molecular formula C28H32F2N2O4 and a molecular weight of 498.57 g/mol. Its IUPAC name is propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
PubChem CID59425300
Molecular FormulaC28H32F2N2O4
Molecular Weight498.57 g/mol
Exact Mass498.23
IUPAC Namepropan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1
InChIInChI=1S/C28H32F2N2O4/c1-17(2)35-28(33)31-19-8-6-18(7-9-19)26-25(27(29)30)23-11-10-22(36-21-12-14-34-15-13-21)16-24(23)32(26)20-4-3-5-20/h6-11,16-17,20-21,27H,3-5,12-15H2,1-2H3,(H,31,33)
InChIKeySAHUOFBCGAKAAE-UHFFFAOYSA-N
XLogP7.49
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.57
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]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 propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (CID 59425300) is propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.
What is the InChIKey of propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The InChIKey is SAHUOFBCGAKAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N2O4/c1-17(2)35-28(33)31-19-8-6-18(7-9-19)26-25(27(29)30)23-11-10-22(36-21-12-14-34-15-13-21)16-24(23)32(26)20-4-3-5-20/h6-11,16-17,20-21,27H,3-5,12-15H2,1-2H3,(H,31,33).
What are the key properties of propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 498.57 g/mol, XLogP of 7.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).