1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate

C119H136FN19O11 — CID 162035153

IUPAC1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCCC)cc1.CCCCn1c(-c2ccc(NC(=O)NC(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NC(=O)NCC)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NC(=O)NCCC)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H30N4O2.2C24H28N4O2.C23H24FN3O3.C23H26N4O2/c1-4-6-14-27-25(30)28-19-10-8-18(9-11-19)24-22(17-26)21-13-12-20(31-3)16-23(21)29(24)15-7-5-2;1-5-6-13-28-22-14-19(30-4)11-12-20(22)21(15-25)23(28)17-7-9-18(10-8-17)27-24(29)26-16(2)3;1-4-6-14-28-22-15-19(30-3)11-12-20(22)21(16-25)23(28)17-7-9-18(10-8-17)27-24(29)26-13-5-2;1-3-4-12-27-21-14-18(29-2)9-10-19(21)20(15-25)22(27)16-5-7-17(8-6-16)26-23(28)30-13-11-24;1-4-6-13-27-21-14-18(29-3)11-12-19(21)20(15-24)22(27)16-7-9-17(10-8-16)26-23(28)25-5-2/h8-13,16H,4-7,14-15H2,1-3H3,(H2,27,28,30);7-12,14,16H,5-6,13H2,1-4H3,(H2,26,27,29);7-12,15H,4-6,13-14H2,1-3H3,(H2,26,27,29);5-10,14H,3-4,11-13H2,1-2H3,(H,26,28);7-12,14H,4-6,13H2,1-3H3,(H2,25,26,28)
InChIKeyYWNWLLCEKVQTHN-UHFFFAOYSA-N
MW2027.52 g/mol
LogP27.59
Rot. Bonds39

About 1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate

1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 162035153) has the molecular formula C119H136FN19O11 and a molecular weight of 2027.52 g/mol. Its IUPAC name is 1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate
PubChem CID162035153
Molecular FormulaC119H136FN19O11
Molecular Weight2027.52 g/mol
Exact Mass2026.07
IUPAC Name1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCCC)cc1.CCCCn1c(-c2ccc(NC(=O)NC(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NC(=O)NCC)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NC(=O)NCCC)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H30N4O2.2C24H28N4O2.C23H24FN3O3.C23H26N4O2/c1-4-6-14-27-25(30)28-19-10-8-18(9-11-19)24-22(17-26)21-13-12-20(31-3)16-23(21)29(24)15-7-5-2;1-5-6-13-28-22-14-19(30-4)11-12-20(22)21(15-25)23(28)17-7-9-18(10-8-17)27-24(29)26-16(2)3;1-4-6-14-28-22-15-19(30-3)11-12-20(22)21(16-25)23(28)17-7-9-18(10-8-17)27-24(29)26-13-5-2;1-3-4-12-27-21-14-18(29-2)9-10-19(21)20(15-25)22(27)16-5-7-17(8-6-16)26-23(28)30-13-11-24;1-4-6-13-27-21-14-18(29-3)11-12-19(21)20(15-24)22(27)16-7-9-17(10-8-16)26-23(28)25-5-2/h8-13,16H,4-7,14-15H2,1-3H3,(H2,27,28,30);7-12,14,16H,5-6,13H2,1-4H3,(H2,26,27,29);7-12,15H,4-6,13-14H2,1-3H3,(H2,26,27,29);5-10,14H,3-4,11-13H2,1-2H3,(H,26,28);7-12,14H,4-6,13H2,1-3H3,(H2,25,26,28)
InChIKeyYWNWLLCEKVQTHN-UHFFFAOYSA-N
XLogP27.59
TPSA392.60 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds39
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002027.52
LogP ≤ 527.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate with MolForge

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Related Compounds

1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-butyl-3-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]urea;1-butyl-3-[4-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]urea;1-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-ethoxyindol-2-yl)phenyl]carbamate
CID 157387558
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea
CID 58694419
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea;molecular hydrogen
CID 143184904
2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425203
1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea
CID 59425419
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187
5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethyl-2,3-dihydroindole-1-carboxamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;2-(2,3-dihydro-1H-indol-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;propyl N-[4-[3-cyano-6-methoxy-1-(2-methoxyethyl)indol-2-yl]phenyl]carbamate
CID 161360876
1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
CID 70844204
2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 157420704
N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
CID 58694504
1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea
CID 25049866
N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 161097153

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of 1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate (CID 162035153) is 1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for 1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate is CCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CCCC)cc1.CCCCn1c(-c2ccc(NC(=O)NC(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NC(=O)NCC)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NC(=O)NCCC)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is YWNWLLCEKVQTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2.2C24H28N4O2.C23H24FN3O3.C23H26N4O2/c1-4-6-14-27-25(30)28-19-10-8-18(9-11-19)24-22(17-26)21-13-12-20(31-3)16-23(21)29(24)15-7-5-2;1-5-6-13-28-22-14-19(30-4)11-12-20(22)21(15-25)23(28)17-7-9-18(10-8-17)27-24(29)26-16(2)3;1-4-6-14-28-22-15-19(30-3)11-12-20(22)21(16-25)23(28)17-7-9-18(10-8-17)27-24(29)26-13-5-2;1-3-4-12-27-21-14-18(29-2)9-10-19(21)20(15-25)22(27)16-5-7-17(8-6-16)26-23(28)30-13-11-24;1-4-6-13-27-21-14-18(29-3)11-12-19(21)20(15-24)22(27)16-7-9-17(10-8-16)26-23(28)25-5-2/h8-13,16H,4-7,14-15H2,1-3H3,(H2,27,28,30);7-12,14,16H,5-6,13H2,1-4H3,(H2,26,27,29);7-12,15H,4-6,13-14H2,1-3H3,(H2,26,27,29);5-10,14H,3-4,11-13H2,1-2H3,(H,26,28);7-12,14H,4-6,13H2,1-3H3,(H2,25,26,28).
What are the key properties of 1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate?
1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2027.52 g/mol, XLogP of 27.59, 39 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]urea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]-3-propylurea;2-fluoroethyl N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 162035153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).