2-(5-aminoindol-1-yl)-N-benzylacetamide

C17H17N3O — CID 43342948

IUPAC2-(5-aminoindol-1-yl)-N-benzylacetamide
SMILESNc1ccc2c(ccn2CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H17N3O/c18-15-6-7-16-14(10-15)8-9-20(16)12-17(21)19-11-13-4-2-1-3-5-13/h1-10H,11-12,18H2,(H,19,21)
InChIKeyCGZLYBMCOAGNPW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.54
Rot. Bonds4

About 2-(5-aminoindol-1-yl)-N-benzylacetamide

2-(5-aminoindol-1-yl)-N-benzylacetamide (PubChem CID 43342948) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(5-aminoindol-1-yl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(5-aminoindol-1-yl)-N-benzylacetamide
PubChem CID43342948
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(5-aminoindol-1-yl)-N-benzylacetamide
SMILESNc1ccc2c(ccn2CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H17N3O/c18-15-6-7-16-14(10-15)8-9-20(16)12-17(21)19-11-13-4-2-1-3-5-13/h1-10H,11-12,18H2,(H,19,21)
InChIKeyCGZLYBMCOAGNPW-UHFFFAOYSA-N
XLogP2.54
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757
2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45493262
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
2-(6-aminoindazol-1-yl)-N-benzylacetamide
CID 22693453
N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide
CID 100736190
1-(4-phenylbutyl)indol-5-amine
CID 114333583
N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 55718467
2-[2-[(5-aminoindol-1-yl)methyl]phenyl]acetic acid
CID 115462296
2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
CID 43165387
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
CID 39336499
N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide
CID 3336665

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminoindol-1-yl)-N-benzylacetamide?
The IUPAC name of 2-(5-aminoindol-1-yl)-N-benzylacetamide (CID 43342948) is 2-(5-aminoindol-1-yl)-N-benzylacetamide.
What is the SMILES notation for 2-(5-aminoindol-1-yl)-N-benzylacetamide?
The canonical SMILES for 2-(5-aminoindol-1-yl)-N-benzylacetamide is Nc1ccc2c(ccn2CC(=O)NCc2ccccc2)c1.
What is the InChIKey of 2-(5-aminoindol-1-yl)-N-benzylacetamide?
The InChIKey is CGZLYBMCOAGNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-15-6-7-16-14(10-15)8-9-20(16)12-17(21)19-11-13-4-2-1-3-5-13/h1-10H,11-12,18H2,(H,19,21).
What are the key properties of 2-(5-aminoindol-1-yl)-N-benzylacetamide?
2-(5-aminoindol-1-yl)-N-benzylacetamide has a molecular weight of 279.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoindol-1-yl)-N-benzylacetamide is sourced from PubChem (CID 43342948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).