N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide

C91H119ClN10O3 — CID 158542153

IUPACN-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12.CCCCC(CC)CNC(=O)c1cn(CCCNCC(C)c2ccccc2)c2ccccc12.CN(CCCn1cc(C(=O)NCc2ccccc2Cl)c2ccccc21)CCc1ccccn1
InChIInChI=1S/C35H49N3O.C29H41N3O.C27H29ClN4O/c1-3-5-12-27(4-2)25-36-35(39)33-26-37(34-16-10-9-15-32(33)34)21-11-22-38-30-19-20-31(38)24-29(23-30)18-17-28-13-7-6-8-14-28;1-4-6-13-24(5-2)21-31-29(33)27-22-32(28-17-11-10-16-26(27)28)19-12-18-30-20-23(3)25-14-8-7-9-15-25;1-31(18-14-22-10-6-7-15-29-22)16-8-17-32-20-24(23-11-3-5-13-26(23)32)27(33)30-19-21-9-2-4-12-25(21)28/h6-10,13-16,26-27,29-31H,3-5,11-12,17-25H2,1-2H3,(H,36,39);7-11,14-17,22-24,30H,4-6,12-13,18-21H2,1-3H3,(H,31,33);2-7,9-13,15,20H,8,14,16-19H2,1H3,(H,30,33)
InChIKeyHOQRJZTZOBDULY-UHFFFAOYSA-N
MW1436.47 g/mol
LogP19.41
Rot. Bonds38

About N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide (PubChem CID 158542153) has the molecular formula C91H119ClN10O3 and a molecular weight of 1436.47 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide
PubChem CID158542153
Molecular FormulaC91H119ClN10O3
Molecular Weight1436.47 g/mol
Exact Mass1434.92
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12.CCCCC(CC)CNC(=O)c1cn(CCCNCC(C)c2ccccc2)c2ccccc12.CN(CCCn1cc(C(=O)NCc2ccccc2Cl)c2ccccc21)CCc1ccccn1
InChIInChI=1S/C35H49N3O.C29H41N3O.C27H29ClN4O/c1-3-5-12-27(4-2)25-36-35(39)33-26-37(34-16-10-9-15-32(33)34)21-11-22-38-30-19-20-31(38)24-29(23-30)18-17-28-13-7-6-8-14-28;1-4-6-13-24(5-2)21-31-29(33)27-22-32(28-17-11-10-16-26(27)28)19-12-18-30-20-23(3)25-14-8-7-9-15-25;1-31(18-14-22-10-6-7-15-29-22)16-8-17-32-20-24(23-11-3-5-13-26(23)32)27(33)30-19-21-9-2-4-12-25(21)28/h6-10,13-16,26-27,29-31H,3-5,11-12,17-25H2,1-2H3,(H,36,39);7-11,14-17,22-24,30H,4-6,12-13,18-21H2,1-3H3,(H,31,33);2-7,9-13,15,20H,8,14,16-19H2,1H3,(H,30,33)
InChIKeyHOQRJZTZOBDULY-UHFFFAOYSA-N
XLogP19.41
TPSA133.49 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds38
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001436.47
LogP ≤ 519.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide (CID 158542153) is N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide is CCCCC(CC)CNC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12.CCCCC(CC)CNC(=O)c1cn(CCCNCC(C)c2ccccc2)c2ccccc12.CN(CCCn1cc(C(=O)NCc2ccccc2Cl)c2ccccc21)CCc1ccccn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide?
The InChIKey is HOQRJZTZOBDULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49N3O.C29H41N3O.C27H29ClN4O/c1-3-5-12-27(4-2)25-36-35(39)33-26-37(34-16-10-9-15-32(33)34)21-11-22-38-30-19-20-31(38)24-29(23-30)18-17-28-13-7-6-8-14-28;1-4-6-13-24(5-2)21-31-29(33)27-22-32(28-17-11-10-16-26(27)28)19-12-18-30-20-23(3)25-14-8-7-9-15-25;1-31(18-14-22-10-6-7-15-29-22)16-8-17-32-20-24(23-11-3-5-13-26(23)32)27(33)30-19-21-9-2-4-12-25(21)28/h6-10,13-16,26-27,29-31H,3-5,11-12,17-25H2,1-2H3,(H,36,39);7-11,14-17,22-24,30H,4-6,12-13,18-21H2,1-3H3,(H,31,33);2-7,9-13,15,20H,8,14,16-19H2,1H3,(H,30,33).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide has a molecular weight of 1436.47 g/mol, XLogP of 19.41, 38 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide is sourced from PubChem (CID 158542153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).