N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide

C21H25N3O — CID 17066776

IUPACN-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide
SMILESCc1ccc2[nH]cc(CCNCC(=O)Nc3c(C)cccc3C)c2c1
InChIInChI=1S/C21H25N3O/c1-14-7-8-19-18(11-14)17(12-23-19)9-10-22-13-20(25)24-21-15(2)5-4-6-16(21)3/h4-8,11-12,22-23H,9-10,13H2,1-3H3,(H,24,25)
InChIKeyNMTGBXXNBAJZIK-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.86
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide

N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide (PubChem CID 17066776) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide
PubChem CID17066776
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide
SMILESCc1ccc2[nH]cc(CCNCC(=O)Nc3c(C)cccc3C)c2c1
InChIInChI=1S/C21H25N3O/c1-14-7-8-19-18(11-14)17(12-23-19)9-10-22-13-20(25)24-21-15(2)5-4-6-16(21)3/h4-8,11-12,22-23H,9-10,13H2,1-3H3,(H,24,25)
InChIKeyNMTGBXXNBAJZIK-UHFFFAOYSA-N
XLogP3.86
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide 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-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000172
2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 110835976
N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50977958
N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002406
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002411

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide (CID 17066776) is N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide is Cc1ccc2[nH]cc(CCNCC(=O)Nc3c(C)cccc3C)c2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide?
The InChIKey is NMTGBXXNBAJZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14-7-8-19-18(11-14)17(12-23-19)9-10-22-13-20(25)24-21-15(2)5-4-6-16(21)3/h4-8,11-12,22-23H,9-10,13H2,1-3H3,(H,24,25).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide has a molecular weight of 335.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 17066776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).