cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate

C28H31N3O4 — CID 59425395

IUPACcyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
SMILESCOCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC4CCCC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C28H31N3O4/c1-33-15-16-34-23-13-14-24-25(18-29)27(31(26(24)17-23)21-5-4-6-21)19-9-11-20(12-10-19)30-28(32)35-22-7-2-3-8-22/h9-14,17,21-22H,2-8,15-16H2,1H3,(H,30,32)
InChIKeyBSFKRDJPJGRGTI-UHFFFAOYSA-N
MW473.57 g/mol
LogP6.42
Rot. Bonds8

About cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate

cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 59425395) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
PubChem CID59425395
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Namecyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
SMILESCOCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC4CCCC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C28H31N3O4/c1-33-15-16-34-23-13-14-24-25(18-29)27(31(26(24)17-23)21-5-4-6-21)19-9-11-20(12-10-19)30-28(32)35-22-7-2-3-8-22/h9-14,17,21-22H,2-8,15-16H2,1H3,(H,30,32)
InChIKeyBSFKRDJPJGRGTI-UHFFFAOYSA-N
XLogP6.42
TPSA85.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)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 cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate (CID 59425395) is cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate is COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC4CCCC4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is BSFKRDJPJGRGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-33-15-16-34-23-13-14-24-25(18-29)27(31(26(24)17-23)21-5-4-6-21)19-9-11-20(12-10-19)30-28(32)35-22-7-2-3-8-22/h9-14,17,21-22H,2-8,15-16H2,1H3,(H,30,32).
What are the key properties of cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?
cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 473.57 g/mol, XLogP of 6.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).