N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide

C71H77N9O7 — CID 159691701

IUPACN-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)C3CCC3)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(NC(=O)COC)cc2)c(C#N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C25H27N3O2.C23H25N3O3.C23H25N3O2/c1-4-28-23-14-20(30-16(2)3)12-13-21(23)22(15-26)24(28)17-8-10-19(11-9-17)27-25(29)18-6-5-7-18;1-5-26-21-12-18(29-15(2)3)10-11-19(21)20(13-24)23(26)16-6-8-17(9-7-16)25-22(27)14-28-4;1-5-22(27)25-17-9-7-16(8-10-17)23-20(14-24)19-12-11-18(28-15(3)4)13-21(19)26(23)6-2/h8-14,16,18H,4-7H2,1-3H3,(H,27,29);6-12,15H,5,14H2,1-4H3,(H,25,27);7-13,15H,5-6H2,1-4H3,(H,25,27)
InChIKeyMWMOVYSFDVBKQU-UHFFFAOYSA-N
MW1168.45 g/mol
LogP15.63
Rot. Bonds19

About N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide

N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide (PubChem CID 159691701) has the molecular formula C71H77N9O7 and a molecular weight of 1168.45 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide
PubChem CID159691701
Molecular FormulaC71H77N9O7
Molecular Weight1168.45 g/mol
Exact Mass1167.59
IUPAC NameN-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)C3CCC3)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(NC(=O)COC)cc2)c(C#N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C25H27N3O2.C23H25N3O3.C23H25N3O2/c1-4-28-23-14-20(30-16(2)3)12-13-21(23)22(15-26)24(28)17-8-10-19(11-9-17)27-25(29)18-6-5-7-18;1-5-26-21-12-18(29-15(2)3)10-11-19(21)20(13-24)23(26)16-6-8-17(9-7-16)25-22(27)14-28-4;1-5-22(27)25-17-9-7-16(8-10-17)23-20(14-24)19-12-11-18(28-15(3)4)13-21(19)26(23)6-2/h8-14,16,18H,4-7H2,1-3H3,(H,27,29);6-12,15H,5,14H2,1-4H3,(H,25,27);7-13,15H,5-6H2,1-4H3,(H,25,27)
InChIKeyMWMOVYSFDVBKQU-UHFFFAOYSA-N
XLogP15.63
TPSA210.38 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001168.45
LogP ≤ 515.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide?
The IUPAC name of N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide (CID 159691701) is N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)C3CCC3)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(NC(=O)COC)cc2)c(C#N)c2ccc(OC(C)C)cc21.
What is the InChIKey of N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide?
The InChIKey is MWMOVYSFDVBKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2.C23H25N3O3.C23H25N3O2/c1-4-28-23-14-20(30-16(2)3)12-13-21(23)22(15-26)24(28)17-8-10-19(11-9-17)27-25(29)18-6-5-7-18;1-5-26-21-12-18(29-15(2)3)10-11-19(21)20(13-24)23(26)16-6-8-17(9-7-16)25-22(27)14-28-4;1-5-22(27)25-17-9-7-16(8-10-17)23-20(14-24)19-12-11-18(28-15(3)4)13-21(19)26(23)6-2/h8-14,16,18H,4-7H2,1-3H3,(H,27,29);6-12,15H,5,14H2,1-4H3,(H,25,27);7-13,15H,5-6H2,1-4H3,(H,25,27).
What are the key properties of N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide?
N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide has a molecular weight of 1168.45 g/mol, XLogP of 15.63, 19 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]-2-methoxyacetamide;N-[4-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]propanamide is sourced from PubChem (CID 159691701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).