2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide

C21H22N2O — CID 46420164

IUPAC2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC1CCCc2ccccc21
InChIInChI=1S/C21H22N2O/c24-21(12-17-14-22-20-11-4-3-10-19(17)20)23-13-16-8-5-7-15-6-1-2-9-18(15)16/h1-4,6,9-11,14,16,22H,5,7-8,12-13H2,(H,23,24)
InChIKeyGGYVSLWAEPIQBV-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.95
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide

2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide (PubChem CID 46420164) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
PubChem CID46420164
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC1CCCc2ccccc21
InChIInChI=1S/C21H22N2O/c24-21(12-17-14-22-20-11-4-3-10-19(17)20)23-13-16-8-5-7-15-6-1-2-9-18(15)16/h1-4,6,9-11,14,16,22H,5,7-8,12-13H2,(H,23,24)
InChIKeyGGYVSLWAEPIQBV-UHFFFAOYSA-N
XLogP3.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
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CID 107420241
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 24555614
N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 51565835
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 47026499
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 119181193
3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51901379
3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 29151879

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide (CID 46420164) is 2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCC1CCCc2ccccc21.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
The InChIKey is GGYVSLWAEPIQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c24-21(12-17-14-22-20-11-4-3-10-19(17)20)23-13-16-8-5-7-15-6-1-2-9-18(15)16/h1-4,6,9-11,14,16,22H,5,7-8,12-13H2,(H,23,24).
What are the key properties of 2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 46420164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).