2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide

C9H16N4O6 — CID 15255690

IUPAC2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide
SMILESO=C(C[N+](=O)[O-])NCCCCCNC(=O)C[N+](=O)[O-]
InChIInChI=1S/C9H16N4O6/c14-8(6-12(16)17)10-4-2-1-3-5-11-9(15)7-13(18)19/h1-7H2,(H,10,14)(H,11,15)
InChIKeyAVLRLZOIHDUWNS-UHFFFAOYSA-N
MW276.25 g/mol
LogP-1.06
Rot. Bonds10

About 2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide

2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide (PubChem CID 15255690) has the molecular formula C9H16N4O6 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide.

Molecular Properties

Compound Name2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide
PubChem CID15255690
Molecular FormulaC9H16N4O6
Molecular Weight276.25 g/mol
Exact Mass276.11
IUPAC Name2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide
SMILESO=C(C[N+](=O)[O-])NCCCCCNC(=O)C[N+](=O)[O-]
InChIInChI=1S/C9H16N4O6/c14-8(6-12(16)17)10-4-2-1-3-5-11-9(15)7-13(18)19/h1-7H2,(H,10,14)(H,11,15)
InChIKeyAVLRLZOIHDUWNS-UHFFFAOYSA-N
XLogP-1.06
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide?
The IUPAC name of 2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide (CID 15255690) is 2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide.
What is the SMILES notation for 2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide?
The canonical SMILES for 2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide is O=C(C[N+](=O)[O-])NCCCCCNC(=O)C[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide?
The InChIKey is AVLRLZOIHDUWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O6/c14-8(6-12(16)17)10-4-2-1-3-5-11-9(15)7-13(18)19/h1-7H2,(H,10,14)(H,11,15).
What are the key properties of 2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide?
2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide has a molecular weight of 276.25 g/mol, XLogP of -1.06, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[5-[(2-nitroacetyl)amino]pentyl]acetamide is sourced from PubChem (CID 15255690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).