bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone

C99H113Cl3N8O8 — CID 158140552

IUPACbis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
SMILESCOc1cccc2c(C(=O)C3CC3)cn(CCCN3C4CCC3CC(CCc3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12
InChIInChI=1S/2C34H38ClN3O3.C31H37ClN2O2/c2*1-23-8-5-9-24(18-23)21-36-34(39)29-22-37(33-28(29)10-6-13-32(33)40-2)16-7-17-38-25-14-15-26(38)20-27(19-25)41-31-12-4-3-11-30(31)35;1-36-29-5-2-4-27-28(31(35)23-10-11-23)20-33(30(27)29)16-3-17-34-25-14-15-26(34)19-22(18-25)7-6-21-8-12-24(32)13-9-21/h2*3-6,8-13,18,22,25-27H,7,14-17,19-21H2,1-2H3,(H,36,39);2,4-5,8-9,12-13,20,22-23,25-26H,3,6-7,10-11,14-19H2,1H3
InChIKeyFTWPGDMFMCXGSI-UHFFFAOYSA-N
MW1649.40 g/mol
LogP21.17
Rot. Bonds30

About bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone

bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone (PubChem CID 158140552) has the molecular formula C99H113Cl3N8O8 and a molecular weight of 1649.40 g/mol. Its IUPAC name is bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Namebis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
PubChem CID158140552
Molecular FormulaC99H113Cl3N8O8
Molecular Weight1649.40 g/mol
Exact Mass1646.77
IUPAC Namebis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
SMILESCOc1cccc2c(C(=O)C3CC3)cn(CCCN3C4CCC3CC(CCc3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12
InChIInChI=1S/2C34H38ClN3O3.C31H37ClN2O2/c2*1-23-8-5-9-24(18-23)21-36-34(39)29-22-37(33-28(29)10-6-13-32(33)40-2)16-7-17-38-25-14-15-26(38)20-27(19-25)41-31-12-4-3-11-30(31)35;1-36-29-5-2-4-27-28(31(35)23-10-11-23)20-33(30(27)29)16-3-17-34-25-14-15-26(34)19-22(18-25)7-6-21-8-12-24(32)13-9-21/h2*3-6,8-13,18,22,25-27H,7,14-17,19-21H2,1-2H3,(H,36,39);2,4-5,8-9,12-13,20,22-23,25-26H,3,6-7,10-11,14-19H2,1H3
InChIKeyFTWPGDMFMCXGSI-UHFFFAOYSA-N
XLogP21.17
TPSA145.93 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001649.40
LogP ≤ 521.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone with MolForge

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Related Compounds

N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
CID 58967586
N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
CID 58968132
1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58967930
1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968195
1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 143503305
1-[7-chloro-1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone
CID 58967867
1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;ethane
CID 143502866
N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
CID 58968430
2-[[3-[[[7-methoxy-1-[3-[(1R,5S)-3-phenacyl-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carbonyl]amino]methyl]phenyl]methoxy]-2-oxoacetic acid
CID 143503321
1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58968192
1-(3,5-dichlorophenyl)-2-[8-[3-(7-methoxy-3-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;ethane;N-[(3-methylphenyl)methyl]formamide
CID 143502510
1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 163461256

Frequently Asked Questions

What is the IUPAC name of bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone?
The IUPAC name of bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone (CID 158140552) is bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone.
What is the SMILES notation for bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone?
The canonical SMILES for bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone is COc1cccc2c(C(=O)C3CC3)cn(CCCN3C4CCC3CC(CCc3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12.
What is the InChIKey of bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone?
The InChIKey is FTWPGDMFMCXGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H38ClN3O3.C31H37ClN2O2/c2*1-23-8-5-9-24(18-23)21-36-34(39)29-22-37(33-28(29)10-6-13-32(33)40-2)16-7-17-38-25-14-15-26(38)20-27(19-25)41-31-12-4-3-11-30(31)35;1-36-29-5-2-4-27-28(31(35)23-10-11-23)20-33(30(27)29)16-3-17-34-25-14-15-26(34)19-22(18-25)7-6-21-8-12-24(32)13-9-21/h2*3-6,8-13,18,22,25-27H,7,14-17,19-21H2,1-2H3,(H,36,39);2,4-5,8-9,12-13,20,22-23,25-26H,3,6-7,10-11,14-19H2,1H3.
What are the key properties of bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone?
bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone has a molecular weight of 1649.40 g/mol, XLogP of 21.17, 30 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 158140552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).