7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide

C130H149N15O13 — CID 158671034

IUPAC7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)CCCCCNC(=O)C1Cc2ccccc2N1Cc1ccc(C)cc1.CCC(=O)CCCCCNC(=O)C1Cc2ccccc2N1Cc1cccc2c(N(C)C)cccc12.CCC(=O)CCCCCNC(=O)c1[nH]c2ccccc2c1C.CNC(=O)CCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.CNC(=O)CCCCCCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C30H37N3O2.C29H28N4O4.C28H28N4O3.C25H32N2O2.C18H24N2O2/c1-4-24(34)14-6-5-9-19-31-30(35)29-20-22-12-7-8-17-27(22)33(29)21-23-13-10-16-26-25(23)15-11-18-28(26)32(2)3;1-30-24(34)14-4-2-3-5-15-25(35)33-28(36)26(20-16-31-22-12-8-6-10-18(20)22)27(29(33)37)21-17-32-23-13-9-7-11-19(21)23;1-29-24(33)14-4-2-3-9-15-32-27(34)25(20-16-30-22-12-7-5-10-18(20)22)26(28(32)35)21-17-31-23-13-8-6-11-19(21)23;1-3-22(28)10-5-4-8-16-26-25(29)24-17-21-9-6-7-11-23(21)27(24)18-20-14-12-19(2)13-15-20;1-3-14(21)9-5-4-8-12-19-18(22)17-13(2)15-10-6-7-11-16(15)20-17/h7-8,10-13,15-18,29H,4-6,9,14,19-21H2,1-3H3,(H,31,35);6-13,16-17,31-32H,2-5,14-15H2,1H3,(H,30,34);5-8,10-13,16-17,30-31H,2-4,9,14-15H2,1H3,(H,29,33);6-7,9,11-15,24H,3-5,8,10,16-18H2,1-2H3,(H,26,29);6-7,10-11,20H,3-5,8-9,12H2,1-2H3,(H,19,22)
InChIKeyIDYKHCLYEIUHLE-UHFFFAOYSA-N
MW2129.71 g/mol
LogP22.99
Rot. Bonds47

About 7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide

7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 158671034) has the molecular formula C130H149N15O13 and a molecular weight of 2129.71 g/mol. Its IUPAC name is 7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide
PubChem CID158671034
Molecular FormulaC130H149N15O13
Molecular Weight2129.71 g/mol
Exact Mass2128.15
IUPAC Name7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)CCCCCNC(=O)C1Cc2ccccc2N1Cc1ccc(C)cc1.CCC(=O)CCCCCNC(=O)C1Cc2ccccc2N1Cc1cccc2c(N(C)C)cccc12.CCC(=O)CCCCCNC(=O)c1[nH]c2ccccc2c1C.CNC(=O)CCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.CNC(=O)CCCCCCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C30H37N3O2.C29H28N4O4.C28H28N4O3.C25H32N2O2.C18H24N2O2/c1-4-24(34)14-6-5-9-19-31-30(35)29-20-22-12-7-8-17-27(22)33(29)21-23-13-10-16-26-25(23)15-11-18-28(26)32(2)3;1-30-24(34)14-4-2-3-5-15-25(35)33-28(36)26(20-16-31-22-12-8-6-10-18(20)22)27(29(33)37)21-17-32-23-13-9-7-11-19(21)23;1-29-24(33)14-4-2-3-9-15-32-27(34)25(20-16-30-22-12-7-5-10-18(20)22)26(28(32)35)21-17-31-23-13-8-6-11-19(21)23;1-3-22(28)10-5-4-8-16-26-25(29)24-17-21-9-6-7-11-23(21)27(24)18-20-14-12-19(2)13-15-20;1-3-14(21)9-5-4-8-12-19-18(22)17-13(2)15-10-6-7-11-16(15)20-17/h7-8,10-13,15-18,29H,4-6,9,14,19-21H2,1-3H3,(H,31,35);6-13,16-17,31-32H,2-5,14-15H2,1H3,(H,30,34);5-8,10-13,16-17,30-31H,2-4,9,14-15H2,1H3,(H,29,33);6-7,9,11-15,24H,3-5,8,10,16-18H2,1-2H3,(H,26,29);6-7,10-11,20H,3-5,8-9,12H2,1-2H3,(H,19,22)
InChIKeyIDYKHCLYEIUHLE-UHFFFAOYSA-N
XLogP22.99
TPSA377.21 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds47
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002129.71
LogP ≤ 522.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide with MolForge

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Related Compounds

3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione
CID 157130886
8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide
CID 158692747
10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;3,4-bis(2-methyl-1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione;3-(1H-indol-3-yl)-4-(3H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide
CID 163872312
1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587991
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578480
N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955745
phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate
CID 175180665
(3R)-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41063066
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100517277
N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide
CID 32795936
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1H-indole-2-carboxamide
CID 110851797
1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954539

Frequently Asked Questions

What is the IUPAC name of 7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide (CID 158671034) is 7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide is CCC(=O)CCCCCNC(=O)C1Cc2ccccc2N1Cc1ccc(C)cc1.CCC(=O)CCCCCNC(=O)C1Cc2ccccc2N1Cc1cccc2c(N(C)C)cccc12.CCC(=O)CCCCCNC(=O)c1[nH]c2ccccc2c1C.CNC(=O)CCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.CNC(=O)CCCCCCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.
What is the InChIKey of 7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is IDYKHCLYEIUHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2.C29H28N4O4.C28H28N4O3.C25H32N2O2.C18H24N2O2/c1-4-24(34)14-6-5-9-19-31-30(35)29-20-22-12-7-8-17-27(22)33(29)21-23-13-10-16-26-25(23)15-11-18-28(26)32(2)3;1-30-24(34)14-4-2-3-5-15-25(35)33-28(36)26(20-16-31-22-12-8-6-10-18(20)22)27(29(33)37)21-17-32-23-13-9-7-11-19(21)23;1-29-24(33)14-4-2-3-9-15-32-27(34)25(20-16-30-22-12-7-5-10-18(20)22)26(28(32)35)21-17-31-23-13-8-6-11-19(21)23;1-3-22(28)10-5-4-8-16-26-25(29)24-17-21-9-6-7-11-23(21)27(24)18-20-14-12-19(2)13-15-20;1-3-14(21)9-5-4-8-12-19-18(22)17-13(2)15-10-6-7-11-16(15)20-17/h7-8,10-13,15-18,29H,4-6,9,14,19-21H2,1-3H3,(H,31,35);6-13,16-17,31-32H,2-5,14-15H2,1H3,(H,30,34);5-8,10-13,16-17,30-31H,2-4,9,14-15H2,1H3,(H,29,33);6-7,9,11-15,24H,3-5,8,10,16-18H2,1-2H3,(H,26,29);6-7,10-11,20H,3-5,8-9,12H2,1-2H3,(H,19,22).
What are the key properties of 7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide?
7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 2129.71 g/mol, XLogP of 22.99, 47 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 158671034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).