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-methoxyethyl 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

C127H133N15O16 — CID 158745388

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-methoxyethyl 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)OCCOC)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.C24H27N3O4/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;1-5-27-22-14-19(31-16(2)3)9-10-20(22)21(15-25)23(27)17-7-6-8-18(13-17)26-24(28)30-12-11-29-4/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);6-10,13-14,16H,5,11-12H2,1-4H3,(H,26,28)
InChIKeyIMUZNNWRPCEXDY-UHFFFAOYSA-N
MW2125.55 g/mol
LogP29.23
Rot. Bonds35

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-methoxyethyl 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-methoxyethyl 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 158745388) has the molecular formula C127H133N15O16 and a molecular weight of 2125.55 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-methoxyethyl 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-methoxyethyl 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 CID158745388
Molecular FormulaC127H133N15O16
Molecular Weight2125.55 g/mol
Exact Mass2124.01
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-methoxyethyl 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)OCCOC)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.C24H27N3O4/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;1-5-27-22-14-19(31-16(2)3)9-10-20(22)21(15-25)23(27)17-7-6-8-18(13-17)26-24(28)30-12-11-29-4/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);6-10,13-14,16H,5,11-12H2,1-4H3,(H,26,28)
InChIKeyIMUZNNWRPCEXDY-UHFFFAOYSA-N
XLogP29.23
TPSA390.63 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds35
Heavy Atoms158
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002125.55
LogP ≤ 529.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

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-methoxyethyl 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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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-methoxyethyl 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-methoxyethyl 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 158745388) 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-methoxyethyl 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-methoxyethyl 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-methoxyethyl 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)OCCOC)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-methoxyethyl 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 IMUZNNWRPCEXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3.C25H29N3O3.2C25H25N3O3.C24H27N3O4/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;1-5-27-22-14-19(31-16(2)3)9-10-20(22)21(15-25)23(27)17-7-6-8-18(13-17)26-24(28)30-12-11-29-4/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);6-10,13-14,16H,5,11-12H2,1-4H3,(H,26,28).
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-methoxyethyl 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-methoxyethyl 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 2125.55 g/mol, XLogP of 29.23, 35 rotatable bonds, 5 hydrogen bond donors, and 26 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-methoxyethyl 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 158745388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).