benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate

C103H106N12O12 — CID 157148935

IUPACbenzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
SMILESC#CCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CC#CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCn1c(-c2cccc(NC(=O)OCC(C)C)c2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2cccc(NC(=O)OCc3ccccc3)c2)c(C#N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C28H27N3O3.C25H29N3O3.2C25H25N3O3/c1-4-31-26-16-23(34-19(2)3)13-14-24(26)25(17-29)27(31)21-11-8-12-22(15-21)30-28(32)33-18-20-9-6-5-7-10-20;1-6-28-23-13-20(31-17(4)5)10-11-21(23)22(14-26)24(28)18-8-7-9-19(12-18)27-25(29)30-15-16(2)3;2*1-5-7-13-30-25(29)27-19-10-8-9-18(14-19)24-22(16-26)21-12-11-20(31-17(3)4)15-23(21)28(24)6-2/h5-16,19H,4,18H2,1-3H3,(H,30,32);7-13,16-17H,6,15H2,1-5H3,(H,27,29);8-12,14-15,17H,6,13H2,1-4H3,(H,27,29);1,8-12,14-15,17H,6-7,13H2,2-4H3,(H,27,29)
InChIKeyALAKPVXJJPNPTO-UHFFFAOYSA-N
MW1704.05 g/mol
LogP24.05
Rot. Bonds27

About benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate

benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 157148935) has the molecular formula C103H106N12O12 and a molecular weight of 1704.05 g/mol. Its IUPAC name is benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
PubChem CID157148935
Molecular FormulaC103H106N12O12
Molecular Weight1704.05 g/mol
Exact Mass1702.81
IUPAC Namebenzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
SMILESC#CCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CC#CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCn1c(-c2cccc(NC(=O)OCC(C)C)c2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2cccc(NC(=O)OCc3ccccc3)c2)c(C#N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C28H27N3O3.C25H29N3O3.2C25H25N3O3/c1-4-31-26-16-23(34-19(2)3)13-14-24(26)25(17-29)27(31)21-11-8-12-22(15-21)30-28(32)33-18-20-9-6-5-7-10-20;1-6-28-23-13-20(31-17(4)5)10-11-21(23)22(14-26)24(28)18-8-7-9-19(12-18)27-25(29)30-15-16(2)3;2*1-5-7-13-30-25(29)27-19-10-8-9-18(14-19)24-22(16-26)21-12-11-20(31-17(3)4)15-23(21)28(24)6-2/h5-16,19H,4,18H2,1-3H3,(H,30,32);7-13,16-17H,6,15H2,1-5H3,(H,27,29);8-12,14-15,17H,6,13H2,1-4H3,(H,27,29);1,8-12,14-15,17H,6-7,13H2,2-4H3,(H,27,29)
InChIKeyALAKPVXJJPNPTO-UHFFFAOYSA-N
XLogP24.05
TPSA305.12 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001704.05
LogP ≤ 524.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate with MolForge

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Related Compounds

benzyl N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate
CID 49771927
ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate
CID 58694003
propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate
CID 58694168
2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
CID 58694295
[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59425038
1-(4-fluorocyclohexyl)ethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59425302
1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59426343
2-(3-Aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile
CID 157115071
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 157845134
2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
CID 157846759
2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
CID 158367599
propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate)
CID 159179358

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate (CID 157148935) is benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate is C#CCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CC#CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCn1c(-c2cccc(NC(=O)OCC(C)C)c2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2cccc(NC(=O)OCc3ccccc3)c2)c(C#N)c2ccc(OC(C)C)cc21.
What is the InChIKey of benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?
The InChIKey is ALAKPVXJJPNPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3.C25H29N3O3.2C25H25N3O3/c1-4-31-26-16-23(34-19(2)3)13-14-24(26)25(17-29)27(31)21-11-8-12-22(15-21)30-28(32)33-18-20-9-6-5-7-10-20;1-6-28-23-13-20(31-17(4)5)10-11-21(23)22(14-26)24(28)18-8-7-9-19(12-18)27-25(29)30-15-16(2)3;2*1-5-7-13-30-25(29)27-19-10-8-9-18(14-19)24-22(16-26)21-12-11-20(31-17(3)4)15-23(21)28(24)6-2/h5-16,19H,4,18H2,1-3H3,(H,30,32);7-13,16-17H,6,15H2,1-5H3,(H,27,29);8-12,14-15,17H,6,13H2,1-4H3,(H,27,29);1,8-12,14-15,17H,6-7,13H2,2-4H3,(H,27,29).
What are the key properties of benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?
benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate has a molecular weight of 1704.05 g/mol, XLogP of 24.05, 27 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-2-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 157148935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).