3-azido-2-ethylpentanamide

C7H14N4O — CID 152730747

IUPAC3-azido-2-ethylpentanamide
SMILESCCC(N=[N+]=[N-])C(CC)C(N)=O
InChIInChI=1S/C7H14N4O/c1-3-5(7(8)12)6(4-2)10-11-9/h5-6H,3-4H2,1-2H3,(H2,8,12)
InChIKeyZXOLKUPSQCABIY-UHFFFAOYSA-N
MW170.22 g/mol
LogP1.59
Rot. Bonds5

About 3-azido-2-ethylpentanamide

3-azido-2-ethylpentanamide (PubChem CID 152730747) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 3-azido-2-ethylpentanamide.

Molecular Properties

Compound Name3-azido-2-ethylpentanamide
PubChem CID152730747
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name3-azido-2-ethylpentanamide
SMILESCCC(N=[N+]=[N-])C(CC)C(N)=O
InChIInChI=1S/C7H14N4O/c1-3-5(7(8)12)6(4-2)10-11-9/h5-6H,3-4H2,1-2H3,(H2,8,12)
InChIKeyZXOLKUPSQCABIY-UHFFFAOYSA-N
XLogP1.59
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
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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Related Compounds

3-azido-2-ethylbutanoic acid
CID 151456809
(4R)-3-azido-4-methylhexane
CID 54477838
(2S)-2-ethyl-3,5-dimethylheptanamide
CID 143378708
(2S)-2-azido-3,3-dimethylbutanamide
CID 151787288
2-azido-3-ethylpentan-1-ol
CID 152756616
(2S,3R)-3-azido-2-butylheptanoic acid
CID 164670285
(2S,3S)-2-azido-3-methylpentanoyl chloride
CID 15953720
(2S,3S)-2-azido-3-methylpentan-1-ol
CID 130656400
ethyl (2R,3S)-3-azido-2-hydroxy-5-methylhexanoate
CID 10889285
6-azidodecanamide
CID 175969614
methyl (2S)-2-azido-3-methylpentanoate
CID 102453240
methyl (2S,3S)-2-azido-3-methylpentanoate
CID 57194503

Frequently Asked Questions

What is the IUPAC name of 3-azido-2-ethylpentanamide?
The IUPAC name of 3-azido-2-ethylpentanamide (CID 152730747) is 3-azido-2-ethylpentanamide.
What is the SMILES notation for 3-azido-2-ethylpentanamide?
The canonical SMILES for 3-azido-2-ethylpentanamide is CCC(N=[N+]=[N-])C(CC)C(N)=O.
What is the InChIKey of 3-azido-2-ethylpentanamide?
The InChIKey is ZXOLKUPSQCABIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-3-5(7(8)12)6(4-2)10-11-9/h5-6H,3-4H2,1-2H3,(H2,8,12).
What are the key properties of 3-azido-2-ethylpentanamide?
3-azido-2-ethylpentanamide has a molecular weight of 170.22 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-ethylpentanamide is sourced from PubChem (CID 152730747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).