4-azido-N-(2-hydroxyethyl)-N-methylbutanamide

C7H14N4O2 — CID 59565923

IUPAC4-azido-N-(2-hydroxyethyl)-N-methylbutanamide
SMILESCN(CCO)C(=O)CCCN=[N+]=[N-]
InChIInChI=1S/C7H14N4O2/c1-11(5-6-12)7(13)3-2-4-9-10-8/h12H,2-6H2,1H3
InChIKeyVNGMDPANXAWNGI-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.53
Rot. Bonds6

About 4-azido-N-(2-hydroxyethyl)-N-methylbutanamide

4-azido-N-(2-hydroxyethyl)-N-methylbutanamide (PubChem CID 59565923) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-azido-N-(2-hydroxyethyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-azido-N-(2-hydroxyethyl)-N-methylbutanamide
PubChem CID59565923
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name4-azido-N-(2-hydroxyethyl)-N-methylbutanamide
SMILESCN(CCO)C(=O)CCCN=[N+]=[N-]
InChIInChI=1S/C7H14N4O2/c1-11(5-6-12)7(13)3-2-4-9-10-8/h12H,2-6H2,1H3
InChIKeyVNGMDPANXAWNGI-UHFFFAOYSA-N
XLogP0.53
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 4-azido-N-(2-hydroxyethyl)-N-methylbutanamide 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

5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(6-azido-2-oxohexyl)-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylbutanamide
CID 158179835
5-azido-1,1-dihydroxypentan-2-one
CID 151328078
N-[3-(dimethylamino)propyl]-4-hydroxy-N-methylbutanamide
CID 79191572
6-azido-N-methyl-N-[(2S)-1-oxopropan-2-yl]hexanamide
CID 166933350
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
ethane;N-(2-hydroxyethyl)-N-methylpropanamide
CID 143051262
2-[bis(2-azidoethyl)amino]ethanol
CID 91611711
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
CID 162694868
8-azidooctan-1-ol
CID 11789665
(2S)-2-(4-azidobutanoylamino)propanoic acid
CID 168749789

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-(2-hydroxyethyl)-N-methylbutanamide?
The IUPAC name of 4-azido-N-(2-hydroxyethyl)-N-methylbutanamide (CID 59565923) is 4-azido-N-(2-hydroxyethyl)-N-methylbutanamide.
What is the SMILES notation for 4-azido-N-(2-hydroxyethyl)-N-methylbutanamide?
The canonical SMILES for 4-azido-N-(2-hydroxyethyl)-N-methylbutanamide is CN(CCO)C(=O)CCCN=[N+]=[N-].
What is the InChIKey of 4-azido-N-(2-hydroxyethyl)-N-methylbutanamide?
The InChIKey is VNGMDPANXAWNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-11(5-6-12)7(13)3-2-4-9-10-8/h12H,2-6H2,1H3.
What are the key properties of 4-azido-N-(2-hydroxyethyl)-N-methylbutanamide?
4-azido-N-(2-hydroxyethyl)-N-methylbutanamide has a molecular weight of 186.21 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-(2-hydroxyethyl)-N-methylbutanamide is sourced from PubChem (CID 59565923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).