2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide

C8H13N5O — CID 61373270

IUPAC2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C8H13N5O/c1-6(2)8(3,5-9)12-7(14)4-11-13-10/h6H,4H2,1-3H3,(H,12,14)
InChIKeyNBXRYMRATZBQAR-UHFFFAOYSA-N
MW195.23 g/mol
LogP1.35
Rot. Bonds4

About 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide

2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide (PubChem CID 61373270) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide
PubChem CID61373270
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C8H13N5O/c1-6(2)8(3,5-9)12-7(14)4-11-13-10/h6H,4H2,1-3H3,(H,12,14)
InChIKeyNBXRYMRATZBQAR-UHFFFAOYSA-N
XLogP1.35
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772069
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772067
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide
CID 94183956
2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43091358
N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide
CID 18700272
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 66228331
2,3-dibromo-N-(2-cyano-3-methylbutan-2-yl)propanamide
CID 12945446
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7606007
2-(2-chloro-4-methylphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 22104897
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3,5-dimethylanilino)acetamide
CID 51726807
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-methylbenzoate
CID 2651054
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide (CID 61373270) is 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide is CC(C)C(C)(C#N)NC(=O)CN=[N+]=[N-].
What is the InChIKey of 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The InChIKey is NBXRYMRATZBQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-6(2)8(3,5-9)12-7(14)4-11-13-10/h6H,4H2,1-3H3,(H,12,14).
What are the key properties of 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide?
2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide has a molecular weight of 195.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61373270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).