1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate

C27H30F2N2O3 — CID 59425773

IUPAC1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate
SMILESCCOc1ccc2c(C(F)F)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C27H30F2N2O3/c1-3-33-21-13-14-22-23(15-21)31(20-5-4-6-20)25(24(22)26(28)29)18-9-11-19(12-10-18)30-27(32)34-16(2)17-7-8-17/h9-17,20,26H,3-8H2,1-2H3,(H,30,32)
InChIKeySHRCPRXBQFJZBF-UHFFFAOYSA-N
MW468.54 g/mol
LogP7.72
Rot. Bonds8

About 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate (PubChem CID 59425773) has the molecular formula C27H30F2N2O3 and a molecular weight of 468.54 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate
PubChem CID59425773
Molecular FormulaC27H30F2N2O3
Molecular Weight468.54 g/mol
Exact Mass468.22
IUPAC Name1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate
SMILESCCOc1ccc2c(C(F)F)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C27H30F2N2O3/c1-3-33-21-13-14-22-23(15-21)31(20-5-4-6-20)25(24(22)26(28)29)18-9-11-19(12-10-18)30-27(32)34-16(2)17-7-8-17/h9-17,20,26H,3-8H2,1-2H3,(H,30,32)
InChIKeySHRCPRXBQFJZBF-UHFFFAOYSA-N
XLogP7.72
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-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 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate (CID 59425773) is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate is CCOc1ccc2c(C(F)F)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?
The InChIKey is SHRCPRXBQFJZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N2O3/c1-3-33-21-13-14-22-23(15-21)31(20-5-4-6-20)25(24(22)26(28)29)18-9-11-19(12-10-18)30-27(32)34-16(2)17-7-8-17/h9-17,20,26H,3-8H2,1-2H3,(H,30,32).
What are the key properties of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?
1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate has a molecular weight of 468.54 g/mol, XLogP of 7.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).