N-(2-nitro-4-pentoxyphenyl)acetamide

C13H18N2O4 — CID 20833843

IUPACN-(2-nitro-4-pentoxyphenyl)acetamide
SMILESCCCCCOc1ccc(NC(C)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18N2O4/c1-3-4-5-8-19-11-6-7-12(14-10(2)16)13(9-11)15(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyZIIAQFOBHVUGBR-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.12
Rot. Bonds7

About N-(2-nitro-4-pentoxyphenyl)acetamide

N-(2-nitro-4-pentoxyphenyl)acetamide (PubChem CID 20833843) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-nitro-4-pentoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-nitro-4-pentoxyphenyl)acetamide
PubChem CID20833843
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(2-nitro-4-pentoxyphenyl)acetamide
SMILESCCCCCOc1ccc(NC(C)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18N2O4/c1-3-4-5-8-19-11-6-7-12(14-10(2)16)13(9-11)15(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyZIIAQFOBHVUGBR-UHFFFAOYSA-N
XLogP3.12
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-(2-nitro-4-pentoxyphenyl)acetamide?
The IUPAC name of N-(2-nitro-4-pentoxyphenyl)acetamide (CID 20833843) is N-(2-nitro-4-pentoxyphenyl)acetamide.
What is the SMILES notation for N-(2-nitro-4-pentoxyphenyl)acetamide?
The canonical SMILES for N-(2-nitro-4-pentoxyphenyl)acetamide is CCCCCOc1ccc(NC(C)=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-nitro-4-pentoxyphenyl)acetamide?
The InChIKey is ZIIAQFOBHVUGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-4-5-8-19-11-6-7-12(14-10(2)16)13(9-11)15(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,14,16).
What are the key properties of N-(2-nitro-4-pentoxyphenyl)acetamide?
N-(2-nitro-4-pentoxyphenyl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-4-pentoxyphenyl)acetamide is sourced from PubChem (CID 20833843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).