2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide

C12H14N6O4 — CID 894286

IUPAC2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C12H14N6O4/c1-2-7-17-15-12(14-16-17)13-11(19)8-22-10-5-3-9(4-6-10)18(20)21/h3-6H,2,7-8H2,1H3,(H,13,15,19)
InChIKeyATQQTKGOSAOAQI-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.01
Rot. Bonds7

About 2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide

2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 894286) has the molecular formula C12H14N6O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID894286
Molecular FormulaC12H14N6O4
Molecular Weight306.28 g/mol
Exact Mass306.11
IUPAC Name2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C12H14N6O4/c1-2-7-17-15-12(14-16-17)13-11(19)8-22-10-5-3-9(4-6-10)18(20)21/h3-6H,2,7-8H2,1H3,(H,13,15,19)
InChIKeyATQQTKGOSAOAQI-UHFFFAOYSA-N
XLogP1.01
TPSA125.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide (CID 894286) is 2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is ATQQTKGOSAOAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O4/c1-2-7-17-15-12(14-16-17)13-11(19)8-22-10-5-3-9(4-6-10)18(20)21/h3-6H,2,7-8H2,1H3,(H,13,15,19).
What are the key properties of 2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 306.28 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 894286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).