N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide

C72H88N10O7 — CID 162650164

IUPACN-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide
SMILESCCCN(CCCCNC(=O)c1ccc(-c2ccc(OCc3cn(CCOCCOCCOCCn4cc(COc5ccc(-c6ccc(C(=O)NCCCCN(CCC)C7Cc8ccccc8C7)cc6)cc5)nn4)nn3)cc2)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C72H88N10O7/c1-3-35-79(67-47-61-13-5-6-14-62(61)48-67)37-11-9-33-73-71(83)59-21-17-55(18-22-59)57-25-29-69(30-26-57)88-53-65-51-81(77-75-65)39-41-85-43-45-87-46-44-86-42-40-82-52-66(76-78-82)54-89-70-31-27-58(28-32-70)56-19-23-60(24-20-56)72(84)74-34-10-12-38-80(36-4-2)68-49-63-15-7-8-16-64(63)50-68/h5-8,13-32,51-52,67-68H,3-4,9-12,33-50,53-54H2,1-2H3,(H,73,83)(H,74,84)
InChIKeyZHXPQJBVBDKOKM-UHFFFAOYSA-N
MW1205.56 g/mol
LogP10.89
Rot. Bonds38

About N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide

N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide (PubChem CID 162650164) has the molecular formula C72H88N10O7 and a molecular weight of 1205.56 g/mol. Its IUPAC name is N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide
PubChem CID162650164
Molecular FormulaC72H88N10O7
Molecular Weight1205.56 g/mol
Exact Mass1204.68
IUPAC NameN-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide
SMILESCCCN(CCCCNC(=O)c1ccc(-c2ccc(OCc3cn(CCOCCOCCOCCn4cc(COc5ccc(-c6ccc(C(=O)NCCCCN(CCC)C7Cc8ccccc8C7)cc6)cc5)nn4)nn3)cc2)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C72H88N10O7/c1-3-35-79(67-47-61-13-5-6-14-62(61)48-67)37-11-9-33-73-71(83)59-21-17-55(18-22-59)57-25-29-69(30-26-57)88-53-65-51-81(77-75-65)39-41-85-43-45-87-46-44-86-42-40-82-52-66(76-78-82)54-89-70-31-27-58(28-32-70)56-19-23-60(24-20-56)72(84)74-34-10-12-38-80(36-4-2)68-49-63-15-7-8-16-64(63)50-68/h5-8,13-32,51-52,67-68H,3-4,9-12,33-50,53-54H2,1-2H3,(H,73,83)(H,74,84)
InChIKeyZHXPQJBVBDKOKM-UHFFFAOYSA-N
XLogP10.89
TPSA172.25 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds38
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001205.56
LogP ≤ 510.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide?
The IUPAC name of N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide (CID 162650164) is N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide?
The canonical SMILES for N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide is CCCN(CCCCNC(=O)c1ccc(-c2ccc(OCc3cn(CCOCCOCCOCCn4cc(COc5ccc(-c6ccc(C(=O)NCCCCN(CCC)C7Cc8ccccc8C7)cc6)cc5)nn4)nn3)cc2)cc1)C1Cc2ccccc2C1.
What is the InChIKey of N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide?
The InChIKey is ZHXPQJBVBDKOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H88N10O7/c1-3-35-79(67-47-61-13-5-6-14-62(61)48-67)37-11-9-33-73-71(83)59-21-17-55(18-22-59)57-25-29-69(30-26-57)88-53-65-51-81(77-75-65)39-41-85-43-45-87-46-44-86-42-40-82-52-66(76-78-82)54-89-70-31-27-58(28-32-70)56-19-23-60(24-20-56)72(84)74-34-10-12-38-80(36-4-2)68-49-63-15-7-8-16-64(63)50-68/h5-8,13-32,51-52,67-68H,3-4,9-12,33-50,53-54H2,1-2H3,(H,73,83)(H,74,84).
What are the key properties of N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide?
N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide has a molecular weight of 1205.56 g/mol, XLogP of 10.89, 38 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 162650164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).