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

C76H96N10O9 — CID 162644572

IUPACN-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[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]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide
SMILESCCCN(CCCCNC(=O)c1ccc(-c2ccc(OCc3cn(CCOCCOCCOCCOCCOCCn4cc(COc5ccc(-c6ccc(C(=O)NCCCCN(CCC)C7Cc8ccccc8C7)cc6)cc5)nn4)nn3)cc2)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C76H96N10O9/c1-3-35-83(71-51-65-13-5-6-14-66(65)52-71)37-11-9-33-77-75(87)63-21-17-59(18-22-63)61-25-29-73(30-26-61)94-57-69-55-85(81-79-69)39-41-89-43-45-91-47-49-93-50-48-92-46-44-90-42-40-86-56-70(80-82-86)58-95-74-31-27-62(28-32-74)60-19-23-64(24-20-60)76(88)78-34-10-12-38-84(36-4-2)72-53-67-15-7-8-16-68(67)54-72/h5-8,13-32,55-56,71-72H,3-4,9-12,33-54,57-58H2,1-2H3,(H,77,87)(H,78,88)
InChIKeyVLBMGXWHOLLSJU-UHFFFAOYSA-N
MW1293.67 g/mol
LogP10.92
Rot. Bonds44

About N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[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]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-[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]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide (PubChem CID 162644572) has the molecular formula C76H96N10O9 and a molecular weight of 1293.67 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-[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]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-[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]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide
PubChem CID162644572
Molecular FormulaC76H96N10O9
Molecular Weight1293.67 g/mol
Exact Mass1292.74
IUPAC NameN-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[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]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide
SMILESCCCN(CCCCNC(=O)c1ccc(-c2ccc(OCc3cn(CCOCCOCCOCCOCCOCCn4cc(COc5ccc(-c6ccc(C(=O)NCCCCN(CCC)C7Cc8ccccc8C7)cc6)cc5)nn4)nn3)cc2)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C76H96N10O9/c1-3-35-83(71-51-65-13-5-6-14-66(65)52-71)37-11-9-33-77-75(87)63-21-17-59(18-22-63)61-25-29-73(30-26-61)94-57-69-55-85(81-79-69)39-41-89-43-45-91-47-49-93-50-48-92-46-44-90-42-40-86-56-70(80-82-86)58-95-74-31-27-62(28-32-74)60-19-23-64(24-20-60)76(88)78-34-10-12-38-84(36-4-2)72-53-67-15-7-8-16-68(67)54-72/h5-8,13-32,55-56,71-72H,3-4,9-12,33-54,57-58H2,1-2H3,(H,77,87)(H,78,88)
InChIKeyVLBMGXWHOLLSJU-UHFFFAOYSA-N
XLogP10.92
TPSA190.71 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds44
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001293.67
LogP ≤ 510.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

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-[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]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide
CID 19592098
[3-[4-[(4-phenylbenzoyl)amino]butyl-propylamino]-3,4-dihydro-2H-chromen-8-yl] trifluoromethanesulfonate
CID 19592134
N-[3-[4-[2-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-4-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138648899
1-[6-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyhexyl]-4-[[4-[4-[[1-[6-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyhexyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazole
CID 101496236
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-[1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]triazol-4-yl]benzamide
CID 90643624
3-[2-butoxy-5-[3-[4-[[5-(butylcarbamoyl)-2,3-bis[[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]propylcarbamoyl]-3-(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid
CID 158477523
N-methyl-N-[4-[[1-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]butane-1-sulfonamide
CID 178093626
4-butoxy-N-hexadecylbenzamide
CID 4936106
benzyl N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]carbamate
CID 170563894
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
4-[butylsulfanyl(methyl)amino]-N-[[1-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]triazol-4-yl]methyl]benzamide
CID 178093617
2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-3,6,9,12,15-pentaoxo-8-[4-[[4-[[4-[[1-(11-trimethoxysilylundecyl)triazol-4-yl]methoxy]phenyl]diazenyl]benzoyl]amino]butyl]-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
CID 132564181

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-[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]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-[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]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide (CID 162644572) is N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[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]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-[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]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-[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]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide is CCCN(CCCCNC(=O)c1ccc(-c2ccc(OCc3cn(CCOCCOCCOCCOCCOCCn4cc(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-[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]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide?
The InChIKey is VLBMGXWHOLLSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H96N10O9/c1-3-35-83(71-51-65-13-5-6-14-66(65)52-71)37-11-9-33-77-75(87)63-21-17-59(18-22-63)61-25-29-73(30-26-61)94-57-69-55-85(81-79-69)39-41-89-43-45-91-47-49-93-50-48-92-46-44-90-42-40-86-56-70(80-82-86)58-95-74-31-27-62(28-32-74)60-19-23-64(24-20-60)76(88)78-34-10-12-38-84(36-4-2)72-53-67-15-7-8-16-68(67)54-72/h5-8,13-32,55-56,71-72H,3-4,9-12,33-54,57-58H2,1-2H3,(H,77,87)(H,78,88).
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-[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]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-[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]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide has a molecular weight of 1293.67 g/mol, XLogP of 10.92, 44 rotatable bonds, 2 hydrogen bond donors, and 17 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-[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]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 162644572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).