butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate

C154H166N18O18 — CID 159487995

IUPACbutyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
SMILESC=CCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC)ccc3n2C2CCC2)cc1.CCCCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC)ccc3n2C2CCC2)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC)ccc3n2C2CCC2)cc1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)C)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC3CCCC3)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OCC(C)C)cc1)n2C1CCC1
InChIInChI=1S/C27H29N3O3.2C26H29N3O3.2C25H27N3O3.C25H25N3O3/c1-2-32-22-14-15-25-23(16-22)24(17-28)26(30(25)20-6-5-7-20)18-10-12-19(13-11-18)29-27(31)33-21-8-3-4-9-21;1-4-31-21-12-13-24-22(14-21)23(15-27)25(29(24)20-6-5-7-20)18-8-10-19(11-9-18)28-26(30)32-16-17(2)3;1-3-5-15-32-26(30)28-19-11-9-18(10-12-19)25-23(17-27)22-16-21(31-4-2)13-14-24(22)29(25)20-7-6-8-20;1-4-30-20-12-13-23-21(14-20)22(15-26)24(28(23)19-6-5-7-19)17-8-10-18(11-9-17)27-25(29)31-16(2)3;2*1-3-14-31-25(29)27-18-10-8-17(9-11-18)24-22(16-26)21-15-20(30-4-2)12-13-23(21)28(24)19-6-5-7-19/h10-16,20-21H,2-9H2,1H3,(H,29,31);8-14,17,20H,4-7,16H2,1-3H3,(H,28,30);9-14,16,20H,3-8,15H2,1-2H3,(H,28,30);8-14,16,19H,4-7H2,1-3H3,(H,27,29);8-13,15,19H,3-7,14H2,1-2H3,(H,27,29);3,8-13,15,19H,1,4-7,14H2,2H3,(H,27,29)
InChIKeyLXVCUBZAYFLNRR-UHFFFAOYSA-N
MW2557.13 g/mol
LogP38.52
Rot. Bonds41

About butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate

butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate (PubChem CID 159487995) has the molecular formula C154H166N18O18 and a molecular weight of 2557.13 g/mol. Its IUPAC name is butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namebutyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
PubChem CID159487995
Molecular FormulaC154H166N18O18
Molecular Weight2557.13 g/mol
Exact Mass2555.26
IUPAC Namebutyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
SMILESC=CCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC)ccc3n2C2CCC2)cc1.CCCCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC)ccc3n2C2CCC2)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC)ccc3n2C2CCC2)cc1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)C)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC3CCCC3)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OCC(C)C)cc1)n2C1CCC1
InChIInChI=1S/C27H29N3O3.2C26H29N3O3.2C25H27N3O3.C25H25N3O3/c1-2-32-22-14-15-25-23(16-22)24(17-28)26(30(25)20-6-5-7-20)18-10-12-19(13-11-18)29-27(31)33-21-8-3-4-9-21;1-4-31-21-12-13-24-22(14-21)23(15-27)25(29(24)20-6-5-7-20)18-8-10-19(11-9-18)28-26(30)32-16-17(2)3;1-3-5-15-32-26(30)28-19-11-9-18(10-12-19)25-23(17-27)22-16-21(31-4-2)13-14-24(22)29(25)20-7-6-8-20;1-4-30-20-12-13-23-21(14-20)22(15-26)24(28(23)19-6-5-7-19)17-8-10-18(11-9-17)27-25(29)31-16(2)3;2*1-3-14-31-25(29)27-18-10-8-17(9-11-18)24-22(16-26)21-15-20(30-4-2)12-13-23(21)28(24)19-6-5-7-19/h10-16,20-21H,2-9H2,1H3,(H,29,31);8-14,17,20H,4-7,16H2,1-3H3,(H,28,30);9-14,16,20H,3-8,15H2,1-2H3,(H,28,30);8-14,16,19H,4-7H2,1-3H3,(H,27,29);8-13,15,19H,3-7,14H2,1-2H3,(H,27,29);3,8-13,15,19H,1,4-7,14H2,2H3,(H,27,29)
InChIKeyLXVCUBZAYFLNRR-UHFFFAOYSA-N
XLogP38.52
TPSA457.68 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds41
Heavy Atoms190
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002557.13
LogP ≤ 538.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate (CID 159487995) is butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate is C=CCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC)ccc3n2C2CCC2)cc1.CCCCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC)ccc3n2C2CCC2)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC)ccc3n2C2CCC2)cc1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)C)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC3CCCC3)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OCC(C)C)cc1)n2C1CCC1.
What is the InChIKey of butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate?
The InChIKey is LXVCUBZAYFLNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3.2C26H29N3O3.2C25H27N3O3.C25H25N3O3/c1-2-32-22-14-15-25-23(16-22)24(17-28)26(30(25)20-6-5-7-20)18-10-12-19(13-11-18)29-27(31)33-21-8-3-4-9-21;1-4-31-21-12-13-24-22(14-21)23(15-27)25(29(24)20-6-5-7-20)18-8-10-19(11-9-18)28-26(30)32-16-17(2)3;1-3-5-15-32-26(30)28-19-11-9-18(10-12-19)25-23(17-27)22-16-21(31-4-2)13-14-24(22)29(25)20-7-6-8-20;1-4-30-20-12-13-23-21(14-20)22(15-26)24(28(23)19-6-5-7-19)17-8-10-18(11-9-17)27-25(29)31-16(2)3;2*1-3-14-31-25(29)27-18-10-8-17(9-11-18)24-22(16-26)21-15-20(30-4-2)12-13-23(21)28(24)19-6-5-7-19/h10-16,20-21H,2-9H2,1H3,(H,29,31);8-14,17,20H,4-7,16H2,1-3H3,(H,28,30);9-14,16,20H,3-8,15H2,1-2H3,(H,28,30);8-14,16,19H,4-7H2,1-3H3,(H,27,29);8-13,15,19H,3-7,14H2,1-2H3,(H,27,29);3,8-13,15,19H,1,4-7,14H2,2H3,(H,27,29).
What are the key properties of butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate?
butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2557.13 g/mol, XLogP of 38.52, 41 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159487995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).