N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide

C20H20N6O — CID 118986107

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(Cn1cnnn1)c1ccccc1
InChIInChI=1S/C20H20N6O/c27-20(21-11-10-16-12-22-19-9-5-4-8-17(16)19)18(13-26-14-23-24-25-26)15-6-2-1-3-7-15/h1-9,12,14,18,22H,10-11,13H2,(H,21,27)
InChIKeyZFAZLKBSSWBGQY-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.30
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide

N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide (PubChem CID 118986107) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide
PubChem CID118986107
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(Cn1cnnn1)c1ccccc1
InChIInChI=1S/C20H20N6O/c27-20(21-11-10-16-12-22-19-9-5-4-8-17(16)19)18(13-26-14-23-24-25-26)15-6-2-1-3-7-15/h1-9,12,14,18,22H,10-11,13H2,(H,21,27)
InChIKeyZFAZLKBSSWBGQY-UHFFFAOYSA-N
XLogP2.30
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 95394930
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 9122960
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide (CID 118986107) is N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide is O=C(NCCc1c[nH]c2ccccc12)C(Cn1cnnn1)c1ccccc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide?
The InChIKey is ZFAZLKBSSWBGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(21-11-10-16-12-22-19-9-5-4-8-17(16)19)18(13-26-14-23-24-25-26)15-6-2-1-3-7-15/h1-9,12,14,18,22H,10-11,13H2,(H,21,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide?
N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide has a molecular weight of 360.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 118986107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).