N-(1H-indol-4-yl)-2,2-dimethylpropanamide

C13H16N2O — CID 110730904

IUPACN-(1H-indol-4-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C13H16N2O/c1-13(2,3)12(16)15-11-6-4-5-10-9(11)7-8-14-10/h4-8,14H,1-3H3,(H,15,16)
InChIKeyXFCILASGFNWISL-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.15
Rot. Bonds1

About N-(1H-indol-4-yl)-2,2-dimethylpropanamide

N-(1H-indol-4-yl)-2,2-dimethylpropanamide (PubChem CID 110730904) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-2,2-dimethylpropanamide
PubChem CID110730904
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(1H-indol-4-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C13H16N2O/c1-13(2,3)12(16)15-11-6-4-5-10-9(11)7-8-14-10/h4-8,14H,1-3H3,(H,15,16)
InChIKeyXFCILASGFNWISL-UHFFFAOYSA-N
XLogP3.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(1H-indol-4-yl)-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
CID 110470939
N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide
CID 110473243
2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide
CID 52936895
propane;N-prop-1-en-2-yl-1H-indol-4-amine
CID 143997760
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride
CID 119706198
1-(1H-indol-4-yl)-3-pentylurea
CID 51132800
2-fluoro-N-(1H-indol-4-yl)benzamide
CID 110730909

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1H-indol-4-yl)-2,2-dimethylpropanamide (CID 110730904) is N-(1H-indol-4-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1H-indol-4-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1H-indol-4-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc2[nH]ccc12.
What is the InChIKey of N-(1H-indol-4-yl)-2,2-dimethylpropanamide?
The InChIKey is XFCILASGFNWISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,3)12(16)15-11-6-4-5-10-9(11)7-8-14-10/h4-8,14H,1-3H3,(H,15,16).
What are the key properties of N-(1H-indol-4-yl)-2,2-dimethylpropanamide?
N-(1H-indol-4-yl)-2,2-dimethylpropanamide has a molecular weight of 216.28 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 110730904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).