(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C16H22N6O — CID 97266729

IUPAC(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCCN1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C16H22N6O/c1-2-21-10-6-9-14(21)11-17-16(23)15(22-12-18-19-20-22)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,2,6,9-11H2,1H3,(H,17,23)/t14-,15-/m1/s1
InChIKeyGERXNURKBQFOMK-HUUCEWRRSA-N
MW314.39 g/mol
LogP0.86
Rot. Bonds6

About (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 97266729) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID97266729
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCCN1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C16H22N6O/c1-2-21-10-6-9-14(21)11-17-16(23)15(22-12-18-19-20-22)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,2,6,9-11H2,1H3,(H,17,23)/t14-,15-/m1/s1
InChIKeyGERXNURKBQFOMK-HUUCEWRRSA-N
XLogP0.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71709339
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 24706556
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119952665
N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 51104109
tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide
CID 124878513
3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide
CID 71704289
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 71829669
(2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide
CID 100756925

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 97266729) is (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is CCN1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is GERXNURKBQFOMK-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H22N6O/c1-2-21-10-6-9-14(21)11-17-16(23)15(22-12-18-19-20-22)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,2,6,9-11H2,1H3,(H,17,23)/t14-,15-/m1/s1.
What are the key properties of (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 314.39 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 97266729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).