1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

C126H134N10O14 — CID 158415288

IUPAC1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#CC#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#CC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CCOc1ccc2c(C#CC#N)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C34H38N2O4.C32H33N3O4.C31H34N2O3.C29H29N3O3/c1-22(24-8-9-24)39-34(37)35-26-12-10-25(11-13-26)33-31(15-7-23-5-6-23)30-16-14-29(40-28-17-19-38-20-18-28)21-32(30)36(33)27-3-2-4-27;1-21(22-7-8-22)38-32(36)34-24-11-9-23(10-12-24)31-29(6-3-17-33)28-14-13-27(39-26-15-18-37-19-16-26)20-30(28)35(31)25-4-2-5-25;1-3-35-26-16-18-27-28(17-9-21-7-8-21)30(33(29(27)19-26)25-5-4-6-25)23-12-14-24(15-13-23)32-31(34)36-20(2)22-10-11-22;1-3-34-24-15-16-25-26(8-5-17-30)28(32(27(25)18-24)23-6-4-7-23)21-11-13-22(14-12-21)31-29(33)35-19(2)20-9-10-20/h10-14,16,21-24,27-28H,2-6,8-9,17-20H2,1H3,(H,35,37);9-14,20-22,25-26H,2,4-5,7-8,15-16,18-19H2,1H3,(H,34,36);12-16,18-22,25H,3-8,10-11H2,1-2H3,(H,32,34);11-16,18-20,23H,3-4,6-7,9-10H2,1-2H3,(H,31,33)
InChIKeyGZUYRMIJDPCBKD-UHFFFAOYSA-N
MW2012.51 g/mol
LogP28.71
Rot. Bonds28

About 1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 158415288) has the molecular formula C126H134N10O14 and a molecular weight of 2012.51 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
PubChem CID158415288
Molecular FormulaC126H134N10O14
Molecular Weight2012.51 g/mol
Exact Mass2011.01
IUPAC Name1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#CC#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#CC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CCOc1ccc2c(C#CC#N)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C34H38N2O4.C32H33N3O4.C31H34N2O3.C29H29N3O3/c1-22(24-8-9-24)39-34(37)35-26-12-10-25(11-13-26)33-31(15-7-23-5-6-23)30-16-14-29(40-28-17-19-38-20-18-28)21-32(30)36(33)27-3-2-4-27;1-21(22-7-8-22)38-32(36)34-24-11-9-23(10-12-24)31-29(6-3-17-33)28-14-13-27(39-26-15-18-37-19-16-26)20-30(28)35(31)25-4-2-5-25;1-3-35-26-16-18-27-28(17-9-21-7-8-21)30(33(29(27)19-26)25-5-4-6-25)23-12-14-24(15-13-23)32-31(34)36-20(2)22-10-11-22;1-3-34-24-15-16-25-26(8-5-17-30)28(32(27(25)18-24)23-6-4-7-23)21-11-13-22(14-12-21)31-29(33)35-19(2)20-9-10-20/h10-14,16,21-24,27-28H,2-6,8-9,17-20H2,1H3,(H,35,37);9-14,20-22,25-26H,2,4-5,7-8,15-16,18-19H2,1H3,(H,34,36);12-16,18-22,25H,3-8,10-11H2,1-2H3,(H,32,34);11-16,18-20,23H,3-4,6-7,9-10H2,1-2H3,(H,31,33)
InChIKeyGZUYRMIJDPCBKD-UHFFFAOYSA-N
XLogP28.71
TPSA276.00 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002012.51
LogP ≤ 528.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (CID 158415288) is 1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#CC#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#CC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CCOc1ccc2c(C#CC#N)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The InChIKey is GZUYRMIJDPCBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O4.C32H33N3O4.C31H34N2O3.C29H29N3O3/c1-22(24-8-9-24)39-34(37)35-26-12-10-25(11-13-26)33-31(15-7-23-5-6-23)30-16-14-29(40-28-17-19-38-20-18-28)21-32(30)36(33)27-3-2-4-27;1-21(22-7-8-22)38-32(36)34-24-11-9-23(10-12-24)31-29(6-3-17-33)28-14-13-27(39-26-15-18-37-19-16-26)20-30(28)35(31)25-4-2-5-25;1-3-35-26-16-18-27-28(17-9-21-7-8-21)30(33(29(27)19-26)25-5-4-6-25)23-12-14-24(15-13-23)32-31(34)36-20(2)22-10-11-22;1-3-34-24-15-16-25-26(8-5-17-30)28(32(27(25)18-24)23-6-4-7-23)21-11-13-22(14-12-21)31-29(33)35-19(2)20-9-10-20/h10-14,16,21-24,27-28H,2-6,8-9,17-20H2,1H3,(H,35,37);9-14,20-22,25-26H,2,4-5,7-8,15-16,18-19H2,1H3,(H,34,36);12-16,18-22,25H,3-8,10-11H2,1-2H3,(H,32,34);11-16,18-20,23H,3-4,6-7,9-10H2,1-2H3,(H,31,33).
What are the key properties of 1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2012.51 g/mol, XLogP of 28.71, 28 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158415288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).