N-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide

C51H48N4O3 — CID 165104352

IUPACN-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide
SMILESCc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]c(=O)ccc3c2)cc1.Cc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C26H24N2O2.C25H24N2O/c1-18-5-2-3-7-23(18)26(30)27-16-4-6-19-8-10-20(11-9-19)21-12-14-24-22(17-21)13-15-25(29)28-24;1-18-5-2-3-7-23(18)25(28)27-15-4-6-19-8-10-20(11-9-19)21-12-13-24-22(17-21)14-16-26-24/h2-3,5,7-15,17H,4,6,16H2,1H3,(H,27,30)(H,28,29);2-3,5,7-14,16-17,26H,4,6,15H2,1H3,(H,27,28)
InChIKeyYWNAJEBWCCEIGM-UHFFFAOYSA-N
MW764.97 g/mol
LogP10.37
Rot. Bonds12

About N-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide

N-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide (PubChem CID 165104352) has the molecular formula C51H48N4O3 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide
PubChem CID165104352
Molecular FormulaC51H48N4O3
Molecular Weight764.97 g/mol
Exact Mass764.37
IUPAC NameN-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide
SMILESCc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]c(=O)ccc3c2)cc1.Cc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C26H24N2O2.C25H24N2O/c1-18-5-2-3-7-23(18)26(30)27-16-4-6-19-8-10-20(11-9-19)21-12-14-24-22(17-21)13-15-25(29)28-24;1-18-5-2-3-7-23(18)25(28)27-15-4-6-19-8-10-20(11-9-19)21-12-13-24-22(17-21)14-16-26-24/h2-3,5,7-15,17H,4,6,16H2,1H3,(H,27,30)(H,28,29);2-3,5,7-14,16-17,26H,4,6,15H2,1H3,(H,27,28)
InChIKeyYWNAJEBWCCEIGM-UHFFFAOYSA-N
XLogP10.37
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 510.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide?
The IUPAC name of N-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide (CID 165104352) is N-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide.
What is the SMILES notation for N-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide?
The canonical SMILES for N-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide is Cc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]c(=O)ccc3c2)cc1.Cc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of N-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide?
The InChIKey is YWNAJEBWCCEIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2.C25H24N2O/c1-18-5-2-3-7-23(18)26(30)27-16-4-6-19-8-10-20(11-9-19)21-12-14-24-22(17-21)13-15-25(29)28-24;1-18-5-2-3-7-23(18)25(28)27-15-4-6-19-8-10-20(11-9-19)21-12-13-24-22(17-21)14-16-26-24/h2-3,5,7-15,17H,4,6,16H2,1H3,(H,27,30)(H,28,29);2-3,5,7-14,16-17,26H,4,6,15H2,1H3,(H,27,28).
What are the key properties of N-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide?
N-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide has a molecular weight of 764.97 g/mol, XLogP of 10.37, 12 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1H-indol-5-yl)phenyl]propyl]-2-methylbenzamide;2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]benzamide is sourced from PubChem (CID 165104352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).