N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide

C13H14N6O — CID 110499402

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H14N6O/c20-13(7-12-16-18-19-17-12)14-6-5-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,20)(H,16,17,18,19)
InChIKeyKWYGRGSNVZAEJC-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.58
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499402) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499402
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H14N6O/c20-13(7-12-16-18-19-17-12)14-6-5-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,20)(H,16,17,18,19)
InChIKeyKWYGRGSNVZAEJC-UHFFFAOYSA-N
XLogP0.58
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
N-[2-(1H-indol-3-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2450567
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
ethane-1,2-diamine;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;platinum
CID 142609872
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide (CID 110499402) is N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is KWYGRGSNVZAEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c20-13(7-12-16-18-19-17-12)14-6-5-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,20)(H,16,17,18,19).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 270.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).