N-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide

C27H36N4O — CID 68706287

IUPACN-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide
SMILESCN(C)c1ccc(-c2ccc3ccn(CC(=O)NCCNCC4CCCCC4)c3c2)cc1
InChIInChI=1S/C27H36N4O/c1-30(2)25-12-10-22(11-13-25)24-9-8-23-14-17-31(26(23)18-24)20-27(32)29-16-15-28-19-21-6-4-3-5-7-21/h8-14,17-18,21,28H,3-7,15-16,19-20H2,1-2H3,(H,29,32)
InChIKeyCSKKUQMWTZTDIK-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.66
Rot. Bonds9

About N-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide

N-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide (PubChem CID 68706287) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is N-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide
PubChem CID68706287
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC NameN-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide
SMILESCN(C)c1ccc(-c2ccc3ccn(CC(=O)NCCNCC4CCCCC4)c3c2)cc1
InChIInChI=1S/C27H36N4O/c1-30(2)25-12-10-22(11-13-25)24-9-8-23-14-17-31(26(23)18-24)20-27(32)29-16-15-28-19-21-6-4-3-5-7-21/h8-14,17-18,21,28H,3-7,15-16,19-20H2,1-2H3,(H,29,32)
InChIKeyCSKKUQMWTZTDIK-UHFFFAOYSA-N
XLogP4.66
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide (CID 68706287) is N-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide is CN(C)c1ccc(-c2ccc3ccn(CC(=O)NCCNCC4CCCCC4)c3c2)cc1.
What is the InChIKey of N-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide?
The InChIKey is CSKKUQMWTZTDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-30(2)25-12-10-22(11-13-25)24-9-8-23-14-17-31(26(23)18-24)20-27(32)29-16-15-28-19-21-6-4-3-5-7-21/h8-14,17-18,21,28H,3-7,15-16,19-20H2,1-2H3,(H,29,32).
What are the key properties of N-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide?
N-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide has a molecular weight of 432.61 g/mol, XLogP of 4.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide is sourced from PubChem (CID 68706287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).