N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide

C20H26N4O — CID 147464764

IUPACN-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide
SMILES[H]/N=C(/C1=C(N)CC(C)(C)CC1)c1cc2ccc(N(C)C(C)=O)cc2[nH]1
InChIInChI=1S/C20H26N4O/c1-12(25)24(4)14-6-5-13-9-18(23-17(13)10-14)19(22)15-7-8-20(2,3)11-16(15)21/h5-6,9-10,22-23H,7-8,11,21H2,1-4H3/b22-19-
InChIKeyFAPOYQXIBRBNJW-QOCHGBHMSA-N
MW338.46 g/mol
LogP3.94
Rot. Bonds3

About N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide

N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide (PubChem CID 147464764) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide
PubChem CID147464764
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide
SMILES[H]/N=C(/C1=C(N)CC(C)(C)CC1)c1cc2ccc(N(C)C(C)=O)cc2[nH]1
InChIInChI=1S/C20H26N4O/c1-12(25)24(4)14-6-5-13-9-18(23-17(13)10-14)19(22)15-7-8-20(2,3)11-16(15)21/h5-6,9-10,22-23H,7-8,11,21H2,1-4H3/b22-19-
InChIKeyFAPOYQXIBRBNJW-QOCHGBHMSA-N
XLogP3.94
TPSA85.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide 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-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide?
The IUPAC name of N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide (CID 147464764) is N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide is [H]/N=C(/C1=C(N)CC(C)(C)CC1)c1cc2ccc(N(C)C(C)=O)cc2[nH]1.
What is the InChIKey of N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide?
The InChIKey is FAPOYQXIBRBNJW-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H26N4O/c1-12(25)24(4)14-6-5-13-9-18(23-17(13)10-14)19(22)15-7-8-20(2,3)11-16(15)21/h5-6,9-10,22-23H,7-8,11,21H2,1-4H3/b22-19-.
What are the key properties of N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide?
N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide has a molecular weight of 338.46 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide is sourced from PubChem (CID 147464764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).