N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide

C20H28N2O — CID 20940064

IUPACN-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NC3CCCCCC3)ccc21
InChIInChI=1S/C20H28N2O/c1-4-22-15(3)14(2)18-13-16(11-12-19(18)22)20(23)21-17-9-7-5-6-8-10-17/h11-13,17H,4-10H2,1-3H3,(H,21,23)
InChIKeyXJCGCYVMZJDXLJ-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.73
Rot. Bonds3

About N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide

N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide (PubChem CID 20940064) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide
PubChem CID20940064
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NC3CCCCCC3)ccc21
InChIInChI=1S/C20H28N2O/c1-4-22-15(3)14(2)18-13-16(11-12-19(18)22)20(23)21-17-9-7-5-6-8-10-17/h11-13,17H,4-10H2,1-3H3,(H,21,23)
InChIKeyXJCGCYVMZJDXLJ-UHFFFAOYSA-N
XLogP4.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide?
The IUPAC name of N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide (CID 20940064) is N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide is CCn1c(C)c(C)c2cc(C(=O)NC3CCCCCC3)ccc21.
What is the InChIKey of N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide?
The InChIKey is XJCGCYVMZJDXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-4-22-15(3)14(2)18-13-16(11-12-19(18)22)20(23)21-17-9-7-5-6-8-10-17/h11-13,17H,4-10H2,1-3H3,(H,21,23).
What are the key properties of N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide?
N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-ethyl-2,3-dimethylindole-5-carboxamide is sourced from PubChem (CID 20940064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).