2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide

C14H19N3O — CID 43165357

IUPAC2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1ccc2cc(N)ccc21
InChIInChI=1S/C14H19N3O/c1-10(2)16(3)14(18)9-17-7-6-11-8-12(15)4-5-13(11)17/h4-8,10H,9,15H2,1-3H3
InChIKeyYZBLGDUTIQNWPQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.09
Rot. Bonds3

About 2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide

2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 43165357) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID43165357
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1ccc2cc(N)ccc21
InChIInChI=1S/C14H19N3O/c1-10(2)16(3)14(18)9-17-7-6-11-8-12(15)4-5-13(11)17/h4-8,10H,9,15H2,1-3H3
InChIKeyYZBLGDUTIQNWPQ-UHFFFAOYSA-N
XLogP2.09
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide 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-(5-aminoindol-1-yl)-N,N-dimethylacetamide
CID 43165387
2-(5-fluoroindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 63850467
2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 107920508
N-methyl-N-propan-2-yl-2-(5-propoxyindol-1-yl)acetamide
CID 116625664
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid
CID 119209301
2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide
CID 102912783
2-(5-aminoindol-1-yl)ethanol
CID 43165354
2-(5-aminoindol-1-yl)-N-benzylacetamide
CID 43342948
2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61489016
2-[2-[(5-aminoindol-1-yl)methyl]phenyl]acetic acid
CID 115462296
2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79133437

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 43165357) is 2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1ccc2cc(N)ccc21.
What is the InChIKey of 2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is YZBLGDUTIQNWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)16(3)14(18)9-17-7-6-11-8-12(15)4-5-13(11)17/h4-8,10H,9,15H2,1-3H3.
What are the key properties of 2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 245.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43165357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).