(2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C20H20N6O2 — CID 71829507

IUPAC(2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCOc1cccc2c1ccn2CCNC(=O)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C20H20N6O2/c1-28-18-9-5-8-17-16(18)10-12-25(17)13-11-21-20(27)19(26-14-22-23-24-26)15-6-3-2-4-7-15/h2-10,12,14,19H,11,13H2,1H3,(H,21,27)/t19-/m0/s1
InChIKeyHOPDQMDVSIGVLU-IBGZPJMESA-N
MW376.42 g/mol
LogP2.04
Rot. Bonds7

About (2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

(2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 71829507) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is (2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID71829507
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name(2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCOc1cccc2c1ccn2CCNC(=O)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C20H20N6O2/c1-28-18-9-5-8-17-16(18)10-12-25(17)13-11-21-20(27)19(26-14-22-23-24-26)15-6-3-2-4-7-15/h2-10,12,14,19H,11,13H2,1H3,(H,21,27)/t19-/m0/s1
InChIKeyHOPDQMDVSIGVLU-IBGZPJMESA-N
XLogP2.04
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide
CID 125431413
tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71829715
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71828617
N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91638636
(2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 124860255
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 90652631
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
CID 91640593
N-[2-(4-methoxyindol-1-yl)ethyl]-1-oxo-4H-isoquinoline-4-carboxamide
CID 78149801
(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 71829669
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 95394930
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 71829507) is (2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is COc1cccc2c1ccn2CCNC(=O)[C@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is HOPDQMDVSIGVLU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20N6O2/c1-28-18-9-5-8-17-16(18)10-12-25(17)13-11-21-20(27)19(26-14-22-23-24-26)15-6-3-2-4-7-15/h2-10,12,14,19H,11,13H2,1H3,(H,21,27)/t19-/m0/s1.
What are the key properties of (2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 71829507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).