(2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide

C11H20N4O2 — CID 135067076

IUPAC(2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)[C@H](O)[C@H](N=[N+]=[N-])C1CCCCC1
InChIInChI=1S/C11H20N4O2/c1-15(2)11(17)10(16)9(13-14-12)8-6-4-3-5-7-8/h8-10,16H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyKTZBQLBEWLARGC-NXEZZACHSA-N
MW240.31 g/mol
LogP1.69
Rot. Bonds4

About (2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide

(2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide (PubChem CID 135067076) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is (2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide
PubChem CID135067076
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name(2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)[C@H](O)[C@H](N=[N+]=[N-])C1CCCCC1
InChIInChI=1S/C11H20N4O2/c1-15(2)11(17)10(16)9(13-14-12)8-6-4-3-5-7-8/h8-10,16H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyKTZBQLBEWLARGC-NXEZZACHSA-N
XLogP1.69
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.69
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'}

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Related Compounds

(2S,3R)-3-Amino-4-cyclohexyl-N-((S)-1,2-dimethyl-propyl)-2-hydroxy-butyramide
CID 44381857
(2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide
CID 11361014
2-cyclohexyl-2-hydroxy-N,N-dimethylacetamide
CID 316976
(3R,4S)-1-tert-butyl-4-cyclohexyl-3-hydroxyazetidin-2-one
CID 166438597
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-methylbutan-2-yl)butanamide
CID 9943362
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478230
(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 18631421
(2S)-2-cyclohexyl-2-hydroxy-N,N-dimethylacetamide
CID 58015661
3-amino-4-cyclobutyl-2-hydroxy-N,N-dimethylbutanamide
CID 59547348
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide
CID 70065085
(3R)-3-amino-N-butyl-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 70065166

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide?
The IUPAC name of (2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide (CID 135067076) is (2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide.
What is the SMILES notation for (2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide?
The canonical SMILES for (2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide is CN(C)C(=O)[C@H](O)[C@H](N=[N+]=[N-])C1CCCCC1.
What is the InChIKey of (2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide?
The InChIKey is KTZBQLBEWLARGC-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-15(2)11(17)10(16)9(13-14-12)8-6-4-3-5-7-8/h8-10,16H,3-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide?
(2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide has a molecular weight of 240.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide is sourced from PubChem (CID 135067076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).