2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid

C85H96N8O9 — CID 160952484

IUPAC2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.O=C(O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1
InChIInChI=1S/C36H41N3O4.C31H33N3O2.C18H22N2O3/c1-36(2,3)43-35(41)37-31-13-11-27(25-7-5-4-6-8-25)21-29(31)24-34(40)28-12-14-32-30(22-28)23-33(26-9-10-26)39(32)16-15-38-17-19-42-20-18-38;32-28-10-8-24(22-4-2-1-3-5-22)18-26(28)21-31(35)25-9-11-29-27(19-25)20-30(23-6-7-23)34(29)13-12-33-14-16-36-17-15-33;21-18(22)14-3-4-16-15(11-14)12-17(13-1-2-13)20(16)6-5-19-7-9-23-10-8-19/h4-8,11-14,21-23,26H,9-10,15-20,24H2,1-3H3,(H,37,41);1-5,8-11,18-20,23H,6-7,12-17,21,32H2;3-4,11-13H,1-2,5-10H2,(H,21,22)
InChIKeySVYFKOKMOPFRPI-UHFFFAOYSA-N
MW1373.75 g/mol
LogP15.36
Rot. Bonds22

About 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid

2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid (PubChem CID 160952484) has the molecular formula C85H96N8O9 and a molecular weight of 1373.75 g/mol. Its IUPAC name is 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid
PubChem CID160952484
Molecular FormulaC85H96N8O9
Molecular Weight1373.75 g/mol
Exact Mass1372.73
IUPAC Name2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.O=C(O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1
InChIInChI=1S/C36H41N3O4.C31H33N3O2.C18H22N2O3/c1-36(2,3)43-35(41)37-31-13-11-27(25-7-5-4-6-8-25)21-29(31)24-34(40)28-12-14-32-30(22-28)23-33(26-9-10-26)39(32)16-15-38-17-19-42-20-18-38;32-28-10-8-24(22-4-2-1-3-5-22)18-26(28)21-31(35)25-9-11-29-27(19-25)20-30(23-6-7-23)34(29)13-12-33-14-16-36-17-15-33;21-18(22)14-3-4-16-15(11-14)12-17(13-1-2-13)20(16)6-5-19-7-9-23-10-8-19/h4-8,11-14,21-23,26H,9-10,15-20,24H2,1-3H3,(H,37,41);1-5,8-11,18-20,23H,6-7,12-17,21,32H2;3-4,11-13H,1-2,5-10H2,(H,21,22)
InChIKeySVYFKOKMOPFRPI-UHFFFAOYSA-N
XLogP15.36
TPSA187.99 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001373.75
LogP ≤ 515.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid?
The IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid (CID 160952484) is 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid.
What is the SMILES notation for 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid?
The canonical SMILES for 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.O=C(O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.
What is the InChIKey of 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid?
The InChIKey is SVYFKOKMOPFRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N3O4.C31H33N3O2.C18H22N2O3/c1-36(2,3)43-35(41)37-31-13-11-27(25-7-5-4-6-8-25)21-29(31)24-34(40)28-12-14-32-30(22-28)23-33(26-9-10-26)39(32)16-15-38-17-19-42-20-18-38;32-28-10-8-24(22-4-2-1-3-5-22)18-26(28)21-31(35)25-9-11-29-27(19-25)20-30(23-6-7-23)34(29)13-12-33-14-16-36-17-15-33;21-18(22)14-3-4-16-15(11-14)12-17(13-1-2-13)20(16)6-5-19-7-9-23-10-8-19/h4-8,11-14,21-23,26H,9-10,15-20,24H2,1-3H3,(H,37,41);1-5,8-11,18-20,23H,6-7,12-17,21,32H2;3-4,11-13H,1-2,5-10H2,(H,21,22).
What are the key properties of 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid?
2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid has a molecular weight of 1373.75 g/mol, XLogP of 15.36, 22 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;tert-butyl N-[2-[2-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid is sourced from PubChem (CID 160952484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).