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

C19H18N6O — CID 95394930

IUPAC(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C19H18N6O/c26-19(18(25-13-22-23-24-25)14-6-2-1-3-7-14)20-11-10-15-12-21-17-9-5-4-8-16(15)17/h1-9,12-13,18,21H,10-11H2,(H,20,26)/t18-/m0/s1
InChIKeyPDDLZJDJOCZSMF-SFHVURJKSA-N
MW346.39 g/mol
LogP2.10
Rot. Bonds6

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

(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 95394930) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID95394930
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C19H18N6O/c26-19(18(25-13-22-23-24-25)14-6-2-1-3-7-14)20-11-10-15-12-21-17-9-5-4-8-16(15)17/h1-9,12-13,18,21H,10-11H2,(H,20,26)/t18-/m0/s1
InChIKeyPDDLZJDJOCZSMF-SFHVURJKSA-N
XLogP2.10
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide
CID 118986107
(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71829684
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
(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
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 91773967
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 95394930) is (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is O=C(NCCc1c[nH]c2ccccc12)[C@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is PDDLZJDJOCZSMF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18N6O/c26-19(18(25-13-22-23-24-25)14-6-2-1-3-7-14)20-11-10-15-12-21-17-9-5-4-8-16(15)17/h1-9,12-13,18,21H,10-11H2,(H,20,26)/t18-/m0/s1.
What are the key properties of (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 95394930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).