2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide

C20H22N6O — CID 46984032

IUPAC2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide
SMILESCc1c(CNCCn2nnc3ccccc32)c2ccccc2n1CC(N)=O
InChIInChI=1S/C20H22N6O/c1-14-16(15-6-2-4-8-18(15)25(14)13-20(21)27)12-22-10-11-26-19-9-5-3-7-17(19)23-24-26/h2-9,22H,10-13H2,1H3,(H2,21,27)
InChIKeyFPZJFFDHSGODHS-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.97
Rot. Bonds7

About 2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide

2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide (PubChem CID 46984032) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide
PubChem CID46984032
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide
SMILESCc1c(CNCCn2nnc3ccccc32)c2ccccc2n1CC(N)=O
InChIInChI=1S/C20H22N6O/c1-14-16(15-6-2-4-8-18(15)25(14)13-20(21)27)12-22-10-11-26-19-9-5-3-7-17(19)23-24-26/h2-9,22H,10-13H2,1H3,(H2,21,27)
InChIKeyFPZJFFDHSGODHS-UHFFFAOYSA-N
XLogP1.97
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide
CID 56756587
2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide
CID 54594673
2-[2-methyl-3-[[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethylamino]methyl]indol-1-yl]acetamide
CID 46988276
2-[2-methyl-3-[[[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]methyl]indol-1-yl]acetamide
CID 56738701
2-(benzotriazol-1-yl)-N-(furan-3-ylmethyl)ethanamine
CID 62564068
4-(benzotriazol-1-yl)butyl acetate
CID 3611762
2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62563381
methyl 2-[[1-(2-amino-2-oxoethyl)-2-methylindol-3-yl]methylamino]-2-(3-methylphenyl)acetate
CID 46991508
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
N-[2-(benzotriazol-1-yl)ethyl]-4-methylpentan-1-amine
CID 62563554
2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide
CID 30674042
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide?
The IUPAC name of 2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide (CID 46984032) is 2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide?
The canonical SMILES for 2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide is Cc1c(CNCCn2nnc3ccccc32)c2ccccc2n1CC(N)=O.
What is the InChIKey of 2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide?
The InChIKey is FPZJFFDHSGODHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-16(15-6-2-4-8-18(15)25(14)13-20(21)27)12-22-10-11-26-19-9-5-3-7-17(19)23-24-26/h2-9,22H,10-13H2,1H3,(H2,21,27).
What are the key properties of 2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide?
2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide has a molecular weight of 362.44 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide is sourced from PubChem (CID 46984032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).