N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide

C117H131FN12O8 — CID 158131044

IUPACN-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Cc3ccc4c(c3)c(C)c(C)n4CCCN(C)C)c2)cc1.COc1cccc(NC(=O)c2cccc(Cc3ccc4c(ccn4CCCN(C)C)c3)c2)c1.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3cccc(C(=O)Nc4ccc(F)cc4)c3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)cc12
InChIInChI=1S/C30H33N3O3.C30H35N3O2.C29H32FN3O.C28H31N3O2/c1-20-21(2)33(14-6-13-32(3)4)27-11-9-23(17-26(20)27)15-22-7-5-8-24(16-22)30(34)31-25-10-12-28-29(18-25)36-19-35-28;1-21-22(2)33(17-7-16-32(3)4)29-15-10-24(20-28(21)29)18-23-8-6-9-25(19-23)30(34)31-26-11-13-27(35-5)14-12-26;1-20-21(2)33(16-6-15-32(3)4)28-14-9-23(19-27(20)28)17-22-7-5-8-24(18-22)29(34)31-26-12-10-25(30)11-13-26;1-30(2)14-6-15-31-16-13-23-18-22(11-12-27(23)31)17-21-7-4-8-24(19-21)28(32)29-25-9-5-10-26(20-25)33-3/h5,7-12,16-18H,6,13-15,19H2,1-4H3,(H,31,34);6,8-15,19-20H,7,16-18H2,1-5H3,(H,31,34);5,7-14,18-19H,6,15-17H2,1-4H3,(H,31,34);4-5,7-13,16,18-20H,6,14-15,17H2,1-3H3,(H,29,32)
InChIKeyFSTVWFWPWABZSH-UHFFFAOYSA-N
MW1852.41 g/mol
LogP23.48
Rot. Bonds34

About N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide

N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide (PubChem CID 158131044) has the molecular formula C117H131FN12O8 and a molecular weight of 1852.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide
PubChem CID158131044
Molecular FormulaC117H131FN12O8
Molecular Weight1852.41 g/mol
Exact Mass1851.02
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Cc3ccc4c(c3)c(C)c(C)n4CCCN(C)C)c2)cc1.COc1cccc(NC(=O)c2cccc(Cc3ccc4c(ccn4CCCN(C)C)c3)c2)c1.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3cccc(C(=O)Nc4ccc(F)cc4)c3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)cc12
InChIInChI=1S/C30H33N3O3.C30H35N3O2.C29H32FN3O.C28H31N3O2/c1-20-21(2)33(14-6-13-32(3)4)27-11-9-23(17-26(20)27)15-22-7-5-8-24(16-22)30(34)31-25-10-12-28-29(18-25)36-19-35-28;1-21-22(2)33(17-7-16-32(3)4)29-15-10-24(20-28(21)29)18-23-8-6-9-25(19-23)30(34)31-26-11-13-27(35-5)14-12-26;1-20-21(2)33(16-6-15-32(3)4)28-14-9-23(19-27(20)28)17-22-7-5-8-24(18-22)29(34)31-26-12-10-25(30)11-13-26;1-30(2)14-6-15-31-16-13-23-18-22(11-12-27(23)31)17-21-7-4-8-24(19-21)28(32)29-25-9-5-10-26(20-25)33-3/h5,7-12,16-18H,6,13-15,19H2,1-4H3,(H,31,34);6,8-15,19-20H,7,16-18H2,1-5H3,(H,31,34);5,7-14,18-19H,6,15-17H2,1-4H3,(H,31,34);4-5,7-13,16,18-20H,6,14-15,17H2,1-3H3,(H,29,32)
InChIKeyFSTVWFWPWABZSH-UHFFFAOYSA-N
XLogP23.48
TPSA186.00 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001852.41
LogP ≤ 523.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide with MolForge

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Related Compounds

N-[5-(3,4-dimethoxyanilino)-1-(1-methylindol-3-yl)-5-oxopent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 88286933
N-[5-(3,4-dimethoxyanilino)-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 88286954
1-(1,3-benzodioxol-5-yl)-2,6-dimethylindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-fluoro-2-methylindole-3-carbonitrile;benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
CID 159051800
5-(5-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 161463746
5-(5-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 161903890
N-[2-(1,3-benzodioxol-5-ylamino)-1-(1H-indol-3-yl)-2-oxoethyl]-2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(4-fluorobenzyl)acetamide
CID 4130995
N-(benzo[d][1,3]dioxol-5-yl)-2-(1-(4-fluorobenzyl)-1H-indol-3-yl)acetamide
CID 41109096
N-1,3-benzodioxol-5-yl-2-oxo-2-{1-[3-(trifluoromethyl)benzyl]-1H-indol-3-yl}acetamide
CID 46786093
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide
CID 92343355
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide
CID 92343356
1-acetyl-N-(1,3-benzodioxol-5-yl)-5-fluoroindole-3-carboxamide
CID 113212489
1-acetyl-N-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carboxamide
CID 113213026

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide (CID 158131044) is N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cccc(Cc3ccc4c(c3)c(C)c(C)n4CCCN(C)C)c2)cc1.COc1cccc(NC(=O)c2cccc(Cc3ccc4c(ccn4CCCN(C)C)c3)c2)c1.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3cccc(C(=O)Nc4ccc(F)cc4)c3)cc12.Cc1c(C)n(CCCN(C)C)c2ccc(Cc3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)cc12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide?
The InChIKey is FSTVWFWPWABZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3.C30H35N3O2.C29H32FN3O.C28H31N3O2/c1-20-21(2)33(14-6-13-32(3)4)27-11-9-23(17-26(20)27)15-22-7-5-8-24(16-22)30(34)31-25-10-12-28-29(18-25)36-19-35-28;1-21-22(2)33(17-7-16-32(3)4)29-15-10-24(20-28(21)29)18-23-8-6-9-25(19-23)30(34)31-26-11-13-27(35-5)14-12-26;1-20-21(2)33(16-6-15-32(3)4)28-14-9-23(19-27(20)28)17-22-7-5-8-24(18-22)29(34)31-26-12-10-25(30)11-13-26;1-30(2)14-6-15-31-16-13-23-18-22(11-12-27(23)31)17-21-7-4-8-24(19-21)28(32)29-25-9-5-10-26(20-25)33-3/h5,7-12,16-18H,6,13-15,19H2,1-4H3,(H,31,34);6,8-15,19-20H,7,16-18H2,1-5H3,(H,31,34);5,7-14,18-19H,6,15-17H2,1-4H3,(H,31,34);4-5,7-13,16,18-20H,6,14-15,17H2,1-3H3,(H,29,32).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide?
N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 1852.41 g/mol, XLogP of 23.48, 34 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 158131044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).