(2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide

C20H20N6O — CID 124860255

IUPAC(2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(NCCn1ccc2ccccc21)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C20H20N6O/c27-20(21-11-13-25-12-10-17-8-4-5-9-18(17)25)19(26-15-22-23-24-26)14-16-6-2-1-3-7-16/h1-10,12,15,19H,11,13-14H2,(H,21,27)/t19-/m1/s1
InChIKeyAQXGFGUMXLCAGF-LJQANCHMSA-N
MW360.42 g/mol
LogP2.23
Rot. Bonds7

About (2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide

(2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 124860255) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is (2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID124860255
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name(2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(NCCn1ccc2ccccc21)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C20H20N6O/c27-20(21-11-13-25-12-10-17-8-4-5-9-18(17)25)19(26-15-22-23-24-26)14-16-6-2-1-3-7-16/h1-10,12,15,19H,11,13-14H2,(H,21,27)/t19-/m1/s1
InChIKeyAQXGFGUMXLCAGF-LJQANCHMSA-N
XLogP2.23
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51054807
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(2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide
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(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
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N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33195281
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
(2R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 97052008
(2S)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 97052009
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 134026262
(2R)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814888
N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 124860255) is (2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is O=C(NCCn1ccc2ccccc21)[C@@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is AQXGFGUMXLCAGF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(21-11-13-25-12-10-17-8-4-5-9-18(17)25)19(26-15-22-23-24-26)14-16-6-2-1-3-7-16/h1-10,12,15,19H,11,13-14H2,(H,21,27)/t19-/m1/s1.
What are the key properties of (2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
(2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 360.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 124860255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).