4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide

C34H36N4O2 — CID 123748133

IUPAC4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CCC(Cc4cc(C)c5cc(C(=O)Nc6ccccc6)[nH]c5c4)CC3)[nH]c2c1
InChIInChI=1S/C34H36N4O2/c1-20-13-21(2)27-18-31(37-29(27)14-20)34(40)36-26-11-9-23(10-12-26)16-24-15-22(3)28-19-32(38-30(28)17-24)33(39)35-25-7-5-4-6-8-25/h4-8,13-15,17-19,23,26,37-38H,9-12,16H2,1-3H3,(H,35,39)(H,36,40)
InChIKeyQHHVSCCLLXHBHI-UHFFFAOYSA-N
MW532.69 g/mol
LogP7.36
Rot. Bonds6

About 4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide

4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 123748133) has the molecular formula C34H36N4O2 and a molecular weight of 532.69 g/mol. Its IUPAC name is 4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID123748133
Molecular FormulaC34H36N4O2
Molecular Weight532.69 g/mol
Exact Mass532.28
IUPAC Name4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CCC(Cc4cc(C)c5cc(C(=O)Nc6ccccc6)[nH]c5c4)CC3)[nH]c2c1
InChIInChI=1S/C34H36N4O2/c1-20-13-21(2)27-18-31(37-29(27)14-20)34(40)36-26-11-9-23(10-12-26)16-24-15-22(3)28-19-32(38-30(28)17-24)33(39)35-25-7-5-4-6-8-25/h4-8,13-15,17-19,23,26,37-38H,9-12,16H2,1-3H3,(H,35,39)(H,36,40)
InChIKeyQHHVSCCLLXHBHI-UHFFFAOYSA-N
XLogP7.36
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 57.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide (CID 123748133) is 4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)NC3CCC(Cc4cc(C)c5cc(C(=O)Nc6ccccc6)[nH]c5c4)CC3)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is QHHVSCCLLXHBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O2/c1-20-13-21(2)27-18-31(37-29(27)14-20)34(40)36-26-11-9-23(10-12-26)16-24-15-22(3)28-19-32(38-30(28)17-24)33(39)35-25-7-5-4-6-8-25/h4-8,13-15,17-19,23,26,37-38H,9-12,16H2,1-3H3,(H,35,39)(H,36,40).
What are the key properties of 4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide?
4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 532.69 g/mol, XLogP of 7.36, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[4-[[4-methyl-2-(phenylcarbamoyl)-1H-indol-6-yl]methyl]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 123748133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).