2-azido-N-methylpropanamide

C4H8N4O — CID 20591221

IUPAC2-azido-N-methylpropanamide
SMILESCNC(=O)C(C)N=[N+]=[N-]
InChIInChI=1S/C4H8N4O/c1-3(7-8-5)4(9)6-2/h3H,1-2H3,(H,6,9)
InChIKeySAFZBPSJQWEDLZ-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.43
Rot. Bonds2

About 2-azido-N-methylpropanamide

2-azido-N-methylpropanamide (PubChem CID 20591221) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-azido-N-methylpropanamide.

Molecular Properties

Compound Name2-azido-N-methylpropanamide
PubChem CID20591221
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name2-azido-N-methylpropanamide
SMILESCNC(=O)C(C)N=[N+]=[N-]
InChIInChI=1S/C4H8N4O/c1-3(7-8-5)4(9)6-2/h3H,1-2H3,(H,6,9)
InChIKeySAFZBPSJQWEDLZ-UHFFFAOYSA-N
XLogP0.43
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.43
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

2-azido-N-propylpropanamide
CID 61373269
2-azidopropanoic acid
CID 14720889
2-azido-4-methylpentan-3-one
CID 150180887
2-azido-N-[2-(chloromethoxy)ethyl]propanamide
CID 164821718
2-azido-N-benzylpropanamide
CID 73205195
ethyl (2S)-2-azidopropanoate
CID 15266179
2-azido-N-(3-oxaldehydoylphenyl)propanamide;hydrate
CID 169427182
2-azido-N-(1H-pyrazol-5-yl)propanamide
CID 57031740
(2S)-2-azido-N-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide
CID 167283529
(2R)-2-chloro-N-methylpropanamide
CID 7130812
2-azido-N-methyl-2-naphthalen-1-ylacetamide
CID 10399381
methyl (2S,3S)-2-azido-3-methylpentanoate
CID 57194503

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-methylpropanamide?
The IUPAC name of 2-azido-N-methylpropanamide (CID 20591221) is 2-azido-N-methylpropanamide.
What is the SMILES notation for 2-azido-N-methylpropanamide?
The canonical SMILES for 2-azido-N-methylpropanamide is CNC(=O)C(C)N=[N+]=[N-].
What is the InChIKey of 2-azido-N-methylpropanamide?
The InChIKey is SAFZBPSJQWEDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-3(7-8-5)4(9)6-2/h3H,1-2H3,(H,6,9).
What are the key properties of 2-azido-N-methylpropanamide?
2-azido-N-methylpropanamide has a molecular weight of 128.13 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-methylpropanamide is sourced from PubChem (CID 20591221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).