2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide

C12H15N5O — CID 74661726

IUPAC2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
SMILESCC(C)NC(=O)C(c1ccccc1)n1cnnn1
InChIInChI=1S/C12H15N5O/c1-9(2)14-12(18)11(17-8-13-15-16-17)10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,14,18)
InChIKeyDLOILIQNWMLZTB-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.79
Rot. Bonds4

About 2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide

2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide (PubChem CID 74661726) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
PubChem CID74661726
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
SMILESCC(C)NC(=O)C(c1ccccc1)n1cnnn1
InChIInChI=1S/C12H15N5O/c1-9(2)14-12(18)11(17-8-13-15-16-17)10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,14,18)
InChIKeyDLOILIQNWMLZTB-UHFFFAOYSA-N
XLogP0.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 124851461
(2R)-N-cyclohexyl-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 39350754
(2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 124850563
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71828617
tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
(2S)-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-2-(tetrazol-1-yl)acetamide
CID 71829742
(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71829715
(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 71829669
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97266729
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 90652631
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71709339
(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71829684

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of 2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide (CID 74661726) is 2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for 2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for 2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide is CC(C)NC(=O)C(c1ccccc1)n1cnnn1.
What is the InChIKey of 2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide?
The InChIKey is DLOILIQNWMLZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9(2)14-12(18)11(17-8-13-15-16-17)10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,14,18).
What are the key properties of 2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide?
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide has a molecular weight of 245.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 74661726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).