1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate

C134H161N17O14S — CID 161367435

IUPAC1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate
SMILESC.C.C.C.C.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)N4CCOCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC4CCC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C26H28N4O3.C26H28N4O2.C26H27N3O3.C26H29N3O3.C25H29N3O3S.5CH4/c1-2-33-21-10-11-22-23(17-27)25(30(24(22)16-21)20-4-3-5-20)18-6-8-19(9-7-18)28-26(31)29-12-14-32-15-13-29;1-2-32-21-13-14-22-23(16-27)25(30(24(22)15-21)20-7-4-8-20)17-9-11-19(12-10-17)29-26(31)28-18-5-3-6-18;1-2-31-21-13-14-22-23(16-27)25(29(24(22)15-21)19-5-3-6-19)17-9-11-18(12-10-17)28-26(30)32-20-7-4-8-20;1-4-31-21-12-13-22-23(15-27)25(29(24(22)14-21)16-18-6-5-7-18)19-8-10-20(11-9-19)28-26(30)32-17(2)3;1-3-14-32(29,30)27-20-10-8-19(9-11-20)25-23(16-26)22-13-12-21(31-4-2)15-24(22)28(25)17-18-6-5-7-18;;;;;/h6-11,16,20H,2-5,12-15H2,1H3,(H,28,31);9-15,18,20H,2-8H2,1H3,(H2,28,29,31);9-15,19-20H,2-8H2,1H3,(H,28,30);8-14,17-18H,4-7,16H2,1-3H3,(H,28,30);8-13,15,18,27H,3-7,14,17H2,1-2H3;5*1H4
InChIKeyVPZQQALFXAZHDH-UHFFFAOYSA-N
MW2265.93 g/mol
LogP32.60
Rot. Bonds33

About 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate

1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate (PubChem CID 161367435) has the molecular formula C134H161N17O14S and a molecular weight of 2265.93 g/mol. Its IUPAC name is 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate
PubChem CID161367435
Molecular FormulaC134H161N17O14S
Molecular Weight2265.93 g/mol
Exact Mass2264.21
IUPAC Name1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate
SMILESC.C.C.C.C.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)N4CCOCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC4CCC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C26H28N4O3.C26H28N4O2.C26H27N3O3.C26H29N3O3.C25H29N3O3S.5CH4/c1-2-33-21-10-11-22-23(17-27)25(30(24(22)16-21)20-4-3-5-20)18-6-8-19(9-7-18)28-26(31)29-12-14-32-15-13-29;1-2-32-21-13-14-22-23(16-27)25(30(24(22)15-21)20-7-4-8-20)17-9-11-19(12-10-17)29-26(31)28-18-5-3-6-18;1-2-31-21-13-14-22-23(16-27)25(29(24(22)15-21)19-5-3-6-19)17-9-11-18(12-10-17)28-26(30)32-20-7-4-8-20;1-4-31-21-12-13-22-23(15-27)25(29(24(22)14-21)16-18-6-5-7-18)19-8-10-20(11-9-19)28-26(30)32-17(2)3;1-3-14-32(29,30)27-20-10-8-19(9-11-20)25-23(16-26)22-13-12-21(31-4-2)15-24(22)28(25)17-18-6-5-7-18;;;;;/h6-11,16,20H,2-5,12-15H2,1H3,(H,28,31);9-15,18,20H,2-8H2,1H3,(H2,28,29,31);9-15,19-20H,2-8H2,1H3,(H,28,30);8-14,17-18H,4-7,16H2,1-3H3,(H,28,30);8-13,15,18,27H,3-7,14,17H2,1-2H3;5*1H4
InChIKeyVPZQQALFXAZHDH-UHFFFAOYSA-N
XLogP32.60
TPSA395.28 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002265.93
LogP ≤ 532.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate with MolForge

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Related Compounds

1-[4-(3-cyano-1-cyclopropyl-6-ethoxyindol-2-yl)phenyl]-3-(oxan-4-yl)urea
CID 59426368
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 59425775
[(2S)-butan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59606515
cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425395
2,4-dimethylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59425190
N-[4-[3-cyano-1-cyclobutyl-6-[(2S)-2,3-dihydroxypropoxy]indol-2-yl]phenyl]propane-1-sulfonamide
CID 59426319
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea
CID 59425380
N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate
CID 158599610
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
CID 25051841
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide
CID 58694386
1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59425516
3-chloro-N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-chloro-N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]propane-2-sulfonamide
CID 158802782

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?
The IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate (CID 161367435) is 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate is C.C.C.C.C.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)N4CCOCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC4CCC4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?
The InChIKey is VPZQQALFXAZHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3.C26H28N4O2.C26H27N3O3.C26H29N3O3.C25H29N3O3S.5CH4/c1-2-33-21-10-11-22-23(17-27)25(30(24(22)16-21)20-4-3-5-20)18-6-8-19(9-7-18)28-26(31)29-12-14-32-15-13-29;1-2-32-21-13-14-22-23(16-27)25(30(24(22)15-21)20-7-4-8-20)17-9-11-19(12-10-17)29-26(31)28-18-5-3-6-18;1-2-31-21-13-14-22-23(16-27)25(29(24(22)15-21)19-5-3-6-19)17-9-11-18(12-10-17)28-26(30)32-20-7-4-8-20;1-4-31-21-12-13-22-23(15-27)25(29(24(22)14-21)16-18-6-5-7-18)19-8-10-20(11-9-19)28-26(30)32-17(2)3;1-3-14-32(29,30)27-20-10-8-19(9-11-20)25-23(16-26)22-13-12-21(31-4-2)15-24(22)28(25)17-18-6-5-7-18;;;;;/h6-11,16,20H,2-5,12-15H2,1H3,(H,28,31);9-15,18,20H,2-8H2,1H3,(H2,28,29,31);9-15,19-20H,2-8H2,1H3,(H,28,30);8-14,17-18H,4-7,16H2,1-3H3,(H,28,30);8-13,15,18,27H,3-7,14,17H2,1-2H3;5*1H4.
What are the key properties of 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate has a molecular weight of 2265.93 g/mol, XLogP of 32.60, 33 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 161367435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).