2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide

C12H14N6O4 — CID 960309

IUPAC2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnnc1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N6O4/c1-2-7-17-12(14-15-16-17)13-11(19)8-22-10-6-4-3-5-9(10)18(20)21/h3-6H,2,7-8H2,1H3,(H,13,14,16,19)
InChIKeyIAOCMDNTEUTRNX-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.01
Rot. Bonds7

About 2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide

2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide (PubChem CID 960309) has the molecular formula C12H14N6O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide
PubChem CID960309
Molecular FormulaC12H14N6O4
Molecular Weight306.28 g/mol
Exact Mass306.11
IUPAC Name2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnnc1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N6O4/c1-2-7-17-12(14-15-16-17)13-11(19)8-22-10-6-4-3-5-9(10)18(20)21/h3-6H,2,7-8H2,1H3,(H,13,14,16,19)
InChIKeyIAOCMDNTEUTRNX-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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Related Compounds

2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 960277
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide
CID 2319869
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7924135
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
N-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-(2-nitrophenoxy)acetamide
CID 108733357
4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218797

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide (CID 960309) is 2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide is CCCn1nnnc1NC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The InChIKey is IAOCMDNTEUTRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O4/c1-2-7-17-12(14-15-16-17)13-11(19)8-22-10-6-4-3-5-9(10)18(20)21/h3-6H,2,7-8H2,1H3,(H,13,14,16,19).
What are the key properties of 2-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
2-(2-nitrophenoxy)-N-(1-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-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 960309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).