cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate

C26H31N3O3 — CID 70805302

IUPACcyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
SMILESCCOc1ccc2c(c1)c(N)c(-c1ccc(NC(=O)OC3CCCC3)cc1)n2C1CCC1
InChIInChI=1S/C26H31N3O3/c1-2-31-21-14-15-23-22(16-21)24(27)25(29(23)19-6-5-7-19)17-10-12-18(13-11-17)28-26(30)32-20-8-3-4-9-20/h10-16,19-20H,2-9,27H2,1H3,(H,28,30)
InChIKeyZEPDJTTZUYNYCZ-UHFFFAOYSA-N
MW433.55 g/mol
LogP6.51
Rot. Bonds6

About cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate

cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate (PubChem CID 70805302) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
PubChem CID70805302
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Namecyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
SMILESCCOc1ccc2c(c1)c(N)c(-c1ccc(NC(=O)OC3CCCC3)cc1)n2C1CCC1
InChIInChI=1S/C26H31N3O3/c1-2-31-21-14-15-23-22(16-21)24(27)25(29(23)19-6-5-7-19)17-10-12-18(13-11-17)28-26(30)32-20-8-3-4-9-20/h10-16,19-20H,2-9,27H2,1H3,(H,28,30)
InChIKeyZEPDJTTZUYNYCZ-UHFFFAOYSA-N
XLogP6.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate (CID 70805302) is cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate is CCOc1ccc2c(c1)c(N)c(-c1ccc(NC(=O)OC3CCCC3)cc1)n2C1CCC1.
What is the InChIKey of cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate?
The InChIKey is ZEPDJTTZUYNYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-2-31-21-14-15-23-22(16-21)24(27)25(29(23)19-6-5-7-19)17-10-12-18(13-11-17)28-26(30)32-20-8-3-4-9-20/h10-16,19-20H,2-9,27H2,1H3,(H,28,30).
What are the key properties of cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate?
cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate has a molecular weight of 433.55 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 70805302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).