2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide

C12H14N6O2 — CID 14978589

IUPAC2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)n1cnnn1
InChIInChI=1S/C12H14N6O2/c1-9(19)15-11(18-8-14-16-17-18)12(20)13-7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,13,20)(H,15,19)
InChIKeyVNYLAECZJPCJBP-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.38
Rot. Bonds5

About 2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide

2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide (PubChem CID 14978589) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide
PubChem CID14978589
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)n1cnnn1
InChIInChI=1S/C12H14N6O2/c1-9(19)15-11(18-8-14-16-17-18)12(20)13-7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,13,20)(H,15,19)
InChIKeyVNYLAECZJPCJBP-UHFFFAOYSA-N
XLogP-0.38
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of 2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide (CID 14978589) is 2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for 2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide is CC(=O)NC(C(=O)NCc1ccccc1)n1cnnn1.
What is the InChIKey of 2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is VNYLAECZJPCJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-9(19)15-11(18-8-14-16-17-18)12(20)13-7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,13,20)(H,15,19).
What are the key properties of 2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide?
2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 274.28 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 14978589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).