N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide

C17H17N3O — CID 43163433

IUPACN-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide
SMILESCc1ccc2ccn(CC(=O)Nc3ccc(N)cc3)c2c1
InChIInChI=1S/C17H17N3O/c1-12-2-3-13-8-9-20(16(13)10-12)11-17(21)19-15-6-4-14(18)5-7-15/h2-10H,11,18H2,1H3,(H,19,21)
InChIKeyXWQGGHZFESWSSO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.17
Rot. Bonds3

About N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide

N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide (PubChem CID 43163433) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide
PubChem CID43163433
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide
SMILESCc1ccc2ccn(CC(=O)Nc3ccc(N)cc3)c2c1
InChIInChI=1S/C17H17N3O/c1-12-2-3-13-8-9-20(16(13)10-12)11-17(21)19-15-6-4-14(18)5-7-15/h2-10H,11,18H2,1H3,(H,19,21)
InChIKeyXWQGGHZFESWSSO-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
CID 116546776
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62023194
3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one
CID 62025224
N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688
2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61489016
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one
CID 43259823
2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide
CID 43308924
1-cyclopropyl-2-(6-methylindol-1-yl)ethanone
CID 63914817
5-(6-methylindol-1-yl)pentanehydrazide
CID 63577406
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide (CID 43163433) is N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide is Cc1ccc2ccn(CC(=O)Nc3ccc(N)cc3)c2c1.
What is the InChIKey of N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide?
The InChIKey is XWQGGHZFESWSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-2-3-13-8-9-20(16(13)10-12)11-17(21)19-15-6-4-14(18)5-7-15/h2-10H,11,18H2,1H3,(H,19,21).
What are the key properties of N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide?
N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide 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-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide is sourced from PubChem (CID 43163433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).