N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

C26H31N3O — CID 155076790

About N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide (PubChem CID 155076790) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
• PubChem CID: 155076790
• Molecular Formula: C26H31N3O
• Molecular Weight: 401.55 g/mol
• Exact Mass: 401.25
• IUPAC Name: N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
• SMILES: CCN(C(=O)c1cc2ccccc2[nH]1)C1CCCC(N[C@H]2CCc3ccccc32)C1
• InChI: InChI=1S/C26H31N3O/c1-2-29(26(30)25-16-19-9-4-6-13-23(19)28-25)21-11-7-10-20(17-21)27-24-15-14-18-8-3-5-12-22(18)24/h3-6,8-9,12-13,16,20-21,24,27-28H,2,7,10-11,14-15,17H2,1H3/t20?,21?,24-/m0/s1
• InChIKey: HHDSMPQZMAJJEY-VUNKPPBISA-N
• XLogP: 5.22
• TPSA: 48.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.55
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide?

The IUPAC name of N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide (CID 155076790) is N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide.

What is the SMILES notation for N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide?

The canonical SMILES for N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide is CCN(C(=O)c1cc2ccccc2[nH]1)C1CCCC(N[C@H]2CCc3ccccc32)C1.

What is the InChIKey of N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide?

The InChIKey is HHDSMPQZMAJJEY-VUNKPPBISA-N. The full InChI is InChI=1S/C26H31N3O/c1-2-29(26(30)25-16-19-9-4-6-13-23(19)28-25)21-11-7-10-20(17-21)27-24-15-14-18-8-3-5-12-22(18)24/h3-6,8-9,12-13,16,20-21,24,27-28H,2,7,10-11,14-15,17H2,1H3/t20?,21?,24-/m0/s1.

What are the key properties of N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide?

N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 155076790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).