benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate

C250H280Cl2FN37O32 — CID 157410768

IUPACbenzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
SMILESCCN(CC)C(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCN(CC)C(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCOC)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)N(CCOC)CCOC)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2ccc(NC(=O)N3CCC(C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)N3CCC(C)CC3)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OCC(C)C)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OCCCl)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2cccc(NC(=O)N3CCN(C)CC3)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C28H27N3O4.C27H33ClN4O4.C27H32N4O3.C25H30N4O3.C25H28N4O2.C25H29N3O4.C24H27N5O2.C23H24ClN3O4.C23H24FN3O4.C23H26N4O2/c1-3-31-26-17-23(34-16-15-33-2)13-14-24(26)25(18-29)27(31)21-9-11-22(12-10-21)30-28(32)35-19-20-7-5-4-6-8-20;1-4-32-25-18-22(36-15-5-12-28)10-11-23(25)24(19-29)26(32)20-6-8-21(9-7-20)30-27(33)31(13-16-34-2)14-17-35-3;1-4-31-25-17-22(34-16-15-33-3)9-10-23(25)24(18-28)26(31)20-5-7-21(8-6-20)29-27(32)30-13-11-19(2)12-14-30;1-5-28(6-2)25(30)27-19-10-8-18(9-11-19)24-22(17-26)21-13-12-20(32-15-14-31-4)16-23(21)29(24)7-3;1-4-29-23-15-20(31-3)9-10-21(23)22(16-26)24(29)18-5-7-19(8-6-18)27-25(30)28-13-11-17(2)12-14-28;1-5-28-23-14-20(31-13-12-30-4)10-11-21(23)22(15-26)24(28)18-6-8-19(9-7-18)27-25(29)32-16-17(2)3;1-4-29-22-15-19(31-3)8-9-20(22)21(16-25)23(29)17-6-5-7-18(14-17)26-24(30)28-12-10-27(2)11-13-28;2*1-3-27-21-14-18(30-13-12-29-2)8-9-19(21)20(15-25)22(27)16-4-6-17(7-5-16)26-23(28)31-11-10-24;1-5-26(6-2)23(28)25-17-10-8-16(9-11-17)22-20(15-24)19-13-12-18(29-4)14-21(19)27(22)7-3/h4-14,17H,3,15-16,19H2,1-2H3,(H,30,32);6-11,18H,4-5,12-17H2,1-3H3,(H,30,33);5-10,17,19H,4,11-16H2,1-3H3,(H,29,32);8-13,16H,5-7,14-15H2,1-4H3,(H,27,30);5-10,15,17H,4,11-14H2,1-3H3,(H,27,30);6-11,14,17H,5,12-13,16H2,1-4H3,(H,27,29);5-9,14-15H,4,10-13H2,1-3H3,(H,26,30);2*4-9,14H,3,10-13H2,1-2H3,(H,26,28);8-14H,5-7H2,1-4H3,(H,25,28)
InChIKeyBOGLTVQSPWPOBQ-UHFFFAOYSA-N
MW4405.12 g/mol
LogP51.62
Rot. Bonds79

About benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate

benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 157410768) has the molecular formula C250H280Cl2FN37O32 and a molecular weight of 4405.12 g/mol. Its IUPAC name is benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
PubChem CID157410768
Molecular FormulaC250H280Cl2FN37O32
Molecular Weight4405.12 g/mol
Exact Mass4401.08
IUPAC Namebenzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
SMILESCCN(CC)C(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCN(CC)C(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCOC)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)N(CCOC)CCOC)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2ccc(NC(=O)N3CCC(C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)N3CCC(C)CC3)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OCC(C)C)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OCCCl)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2cccc(NC(=O)N3CCN(C)CC3)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C28H27N3O4.C27H33ClN4O4.C27H32N4O3.C25H30N4O3.C25H28N4O2.C25H29N3O4.C24H27N5O2.C23H24ClN3O4.C23H24FN3O4.C23H26N4O2/c1-3-31-26-17-23(34-16-15-33-2)13-14-24(26)25(18-29)27(31)21-9-11-22(12-10-21)30-28(32)35-19-20-7-5-4-6-8-20;1-4-32-25-18-22(36-15-5-12-28)10-11-23(25)24(19-29)26(32)20-6-8-21(9-7-20)30-27(33)31(13-16-34-2)14-17-35-3;1-4-31-25-17-22(34-16-15-33-3)9-10-23(25)24(18-28)26(31)20-5-7-21(8-6-20)29-27(32)30-13-11-19(2)12-14-30;1-5-28(6-2)25(30)27-19-10-8-18(9-11-19)24-22(17-26)21-13-12-20(32-15-14-31-4)16-23(21)29(24)7-3;1-4-29-23-15-20(31-3)9-10-21(23)22(16-26)24(29)18-5-7-19(8-6-18)27-25(30)28-13-11-17(2)12-14-28;1-5-28-23-14-20(31-13-12-30-4)10-11-21(23)22(15-26)24(28)18-6-8-19(9-7-18)27-25(29)32-16-17(2)3;1-4-29-22-15-19(31-3)8-9-20(22)21(16-25)23(29)17-6-5-7-18(14-17)26-24(30)28-12-10-27(2)11-13-28;2*1-3-27-21-14-18(30-13-12-29-2)8-9-19(21)20(15-25)22(27)16-4-6-17(7-5-16)26-23(28)31-11-10-24;1-5-26(6-2)23(28)25-17-10-8-16(9-11-17)22-20(15-24)19-13-12-18(29-4)14-21(19)27(22)7-3/h4-14,17H,3,15-16,19H2,1-2H3,(H,30,32);6-11,18H,4-5,12-17H2,1-3H3,(H,30,33);5-10,17,19H,4,11-16H2,1-3H3,(H,29,32);8-13,16H,5-7,14-15H2,1-4H3,(H,27,30);5-10,15,17H,4,11-14H2,1-3H3,(H,27,30);6-11,14,17H,5,12-13,16H2,1-4H3,(H,27,29);5-9,14-15H,4,10-13H2,1-3H3,(H,26,30);2*4-9,14H,3,10-13H2,1-2H3,(H,26,28);8-14H,5-7H2,1-4H3,(H,25,28)
InChIKeyBOGLTVQSPWPOBQ-UHFFFAOYSA-N
XLogP51.62
TPSA803.94 Ų
H-Bond Donors10
H-Bond Acceptors53
Rotatable Bonds79
Heavy Atoms322
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004405.12
LogP ≤ 551.62
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1053

Analyze benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate with MolForge

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Related Compounds

2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425203
3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-chloroethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 159593330
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58693960
2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 58693880
benzyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-methylperoxyindol-2-yl]phenyl]carbamate
CID 88979329
2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 70844155
ethyl N-[3-[3-cyano-1-ethyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58693941
1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;1-(3-chloropropyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)phenyl]ethanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
CID 159366563

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate (CID 157410768) is benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate is CCN(CC)C(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCN(CC)C(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCOC)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)N(CCOC)CCOC)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2ccc(NC(=O)N3CCC(C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)N3CCC(C)CC3)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OCC(C)C)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OCCCl)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(C#N)c2ccc(OCCOC)cc21.CCn1c(-c2cccc(NC(=O)N3CCN(C)CC3)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is BOGLTVQSPWPOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4.C27H33ClN4O4.C27H32N4O3.C25H30N4O3.C25H28N4O2.C25H29N3O4.C24H27N5O2.C23H24ClN3O4.C23H24FN3O4.C23H26N4O2/c1-3-31-26-17-23(34-16-15-33-2)13-14-24(26)25(18-29)27(31)21-9-11-22(12-10-21)30-28(32)35-19-20-7-5-4-6-8-20;1-4-32-25-18-22(36-15-5-12-28)10-11-23(25)24(19-29)26(32)20-6-8-21(9-7-20)30-27(33)31(13-16-34-2)14-17-35-3;1-4-31-25-17-22(34-16-15-33-3)9-10-23(25)24(18-28)26(31)20-5-7-21(8-6-20)29-27(32)30-13-11-19(2)12-14-30;1-5-28(6-2)25(30)27-19-10-8-18(9-11-19)24-22(17-26)21-13-12-20(32-15-14-31-4)16-23(21)29(24)7-3;1-4-29-23-15-20(31-3)9-10-21(23)22(16-26)24(29)18-5-7-19(8-6-18)27-25(30)28-13-11-17(2)12-14-28;1-5-28-23-14-20(31-13-12-30-4)10-11-21(23)22(15-26)24(28)18-6-8-19(9-7-18)27-25(29)32-16-17(2)3;1-4-29-22-15-19(31-3)8-9-20(22)21(16-25)23(29)17-6-5-7-18(14-17)26-24(30)28-12-10-27(2)11-13-28;2*1-3-27-21-14-18(30-13-12-29-2)8-9-19(21)20(15-25)22(27)16-4-6-17(7-5-16)26-23(28)31-11-10-24;1-5-26(6-2)23(28)25-17-10-8-16(9-11-17)22-20(15-24)19-13-12-18(29-4)14-21(19)27(22)7-3/h4-14,17H,3,15-16,19H2,1-2H3,(H,30,32);6-11,18H,4-5,12-17H2,1-3H3,(H,30,33);5-10,17,19H,4,11-16H2,1-3H3,(H,29,32);8-13,16H,5-7,14-15H2,1-4H3,(H,27,30);5-10,15,17H,4,11-14H2,1-3H3,(H,27,30);6-11,14,17H,5,12-13,16H2,1-4H3,(H,27,29);5-9,14-15H,4,10-13H2,1-3H3,(H,26,30);2*4-9,14H,3,10-13H2,1-2H3,(H,26,28);8-14H,5-7H2,1-4H3,(H,25,28).
What are the key properties of benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?
benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 4405.12 g/mol, XLogP of 51.62, 79 rotatable bonds, 10 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-chloroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;3-[4-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]-1,1-bis(2-methoxyethyl)urea;3-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-1,1-diethylurea;N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]-4-methylpiperidine-1-carboxamide;3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1,1-diethylurea;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperazine-1-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-4-methylpiperidine-1-carboxamide;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157410768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).