N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide

C17H17N3O — CID 43376298

IUPACN-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide
SMILESCc1cccc(N)c1NC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C17H17N3O/c1-12-5-4-7-14(18)17(12)19-16(21)11-20-10-9-13-6-2-3-8-15(13)20/h2-10H,11,18H2,1H3,(H,19,21)
InChIKeyPYWHOEHGVHGGKM-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.17
Rot. Bonds3

About N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide

N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide (PubChem CID 43376298) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide
PubChem CID43376298
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide
SMILESCc1cccc(N)c1NC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C17H17N3O/c1-12-5-4-7-14(18)17(12)19-16(21)11-20-10-9-13-6-2-3-8-15(13)20/h2-10H,11,18H2,1H3,(H,19,21)
InChIKeyPYWHOEHGVHGGKM-UHFFFAOYSA-N
XLogP3.17
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide
CID 43247265
N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354354
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
N-(2-amino-6-methylphenyl)-2-(2-methylphenyl)acetamide
CID 43152283
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-indol-1-yl-N-methylpropanamide
CID 26286651
N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62772095
N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62849766
N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
CID 43134811
N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide
CID 4058006
N-(2-amino-5-fluorophenyl)-2-indol-1-ylacetamide
CID 43611958
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide (CID 43376298) is N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide is Cc1cccc(N)c1NC(=O)Cn1ccc2ccccc21.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide?
The InChIKey is PYWHOEHGVHGGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-5-4-7-14(18)17(12)19-16(21)11-20-10-9-13-6-2-3-8-15(13)20/h2-10H,11,18H2,1H3,(H,19,21).
What are the key properties of N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide?
N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide has a molecular weight of 279.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide is sourced from PubChem (CID 43376298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).