2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide

C12H14N6O2 — CID 14978584

IUPAC2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C12H14N6O2/c1-8(19)14-10(11-15-17-18-16-11)12(20)13-7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,20)(H,14,19)(H,15,16,17,18)
InChIKeyFKMUGEQXLSGPNE-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.31
Rot. Bonds5

About 2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide

2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 14978584) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide
PubChem CID14978584
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C12H14N6O2/c1-8(19)14-10(11-15-17-18-16-11)12(20)13-7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,20)(H,14,19)(H,15,16,17,18)
InChIKeyFKMUGEQXLSGPNE-UHFFFAOYSA-N
XLogP-0.31
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of 2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide (CID 14978584) is 2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for 2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide is CC(=O)NC(C(=O)NCc1ccccc1)c1nn[nH]n1.
What is the InChIKey of 2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is FKMUGEQXLSGPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-8(19)14-10(11-15-17-18-16-11)12(20)13-7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,20)(H,14,19)(H,15,16,17,18).
What are the key properties of 2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide?
2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 274.28 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 14978584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).