2-[(2-diazoacetyl)amino]-N-hexylacetamide

C10H18N4O2 — CID 3312788

IUPAC2-[(2-diazoacetyl)amino]-N-hexylacetamide
SMILESCCCCCCNC(=O)CNC(=O)C=[N+]=[N-]
InChIInChI=1S/C10H18N4O2/c1-2-3-4-5-6-12-9(15)7-13-10(16)8-14-11/h8H,2-7H2,1H3,(H,12,15)(H,13,16)
InChIKeyFRKDMCXGJILNPK-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.10
Rot. Bonds8

About 2-[(2-diazoacetyl)amino]-N-hexylacetamide

2-[(2-diazoacetyl)amino]-N-hexylacetamide (PubChem CID 3312788) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(2-diazoacetyl)amino]-N-hexylacetamide.

Molecular Properties

Compound Name2-[(2-diazoacetyl)amino]-N-hexylacetamide
PubChem CID3312788
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[(2-diazoacetyl)amino]-N-hexylacetamide
SMILESCCCCCCNC(=O)CNC(=O)C=[N+]=[N-]
InChIInChI=1S/C10H18N4O2/c1-2-3-4-5-6-12-9(15)7-13-10(16)8-14-11/h8H,2-7H2,1H3,(H,12,15)(H,13,16)
InChIKeyFRKDMCXGJILNPK-UHFFFAOYSA-N
XLogP0.10
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-diazoacetyl)amino]-N-hexylacetamide?
The IUPAC name of 2-[(2-diazoacetyl)amino]-N-hexylacetamide (CID 3312788) is 2-[(2-diazoacetyl)amino]-N-hexylacetamide.
What is the SMILES notation for 2-[(2-diazoacetyl)amino]-N-hexylacetamide?
The canonical SMILES for 2-[(2-diazoacetyl)amino]-N-hexylacetamide is CCCCCCNC(=O)CNC(=O)C=[N+]=[N-].
What is the InChIKey of 2-[(2-diazoacetyl)amino]-N-hexylacetamide?
The InChIKey is FRKDMCXGJILNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-2-3-4-5-6-12-9(15)7-13-10(16)8-14-11/h8H,2-7H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 2-[(2-diazoacetyl)amino]-N-hexylacetamide?
2-[(2-diazoacetyl)amino]-N-hexylacetamide has a molecular weight of 226.28 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-diazoacetyl)amino]-N-hexylacetamide is sourced from PubChem (CID 3312788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).