2-azido-N,N-dipropylacetamide

C8H16N4O — CID 61373828

IUPAC2-azido-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN=[N+]=[N-]
InChIInChI=1S/C8H16N4O/c1-3-5-12(6-4-2)8(13)7-10-11-9/h3-7H2,1-2H3
InChIKeyZMNXKSYOQLMTAG-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.95
Rot. Bonds6

About 2-azido-N,N-dipropylacetamide

2-azido-N,N-dipropylacetamide (PubChem CID 61373828) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-azido-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-azido-N,N-dipropylacetamide
PubChem CID61373828
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-azido-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN=[N+]=[N-]
InChIInChI=1S/C8H16N4O/c1-3-5-12(6-4-2)8(13)7-10-11-9/h3-7H2,1-2H3
InChIKeyZMNXKSYOQLMTAG-UHFFFAOYSA-N
XLogP1.95
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-azido-N,N-dipropylacetamide?
The IUPAC name of 2-azido-N,N-dipropylacetamide (CID 61373828) is 2-azido-N,N-dipropylacetamide.
What is the SMILES notation for 2-azido-N,N-dipropylacetamide?
The canonical SMILES for 2-azido-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN=[N+]=[N-].
What is the InChIKey of 2-azido-N,N-dipropylacetamide?
The InChIKey is ZMNXKSYOQLMTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-3-5-12(6-4-2)8(13)7-10-11-9/h3-7H2,1-2H3.
What are the key properties of 2-azido-N,N-dipropylacetamide?
2-azido-N,N-dipropylacetamide has a molecular weight of 184.24 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N,N-dipropylacetamide is sourced from PubChem (CID 61373828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).