N-[(2-methylpropan-2-yl)oxy]nitrous amide

C4H10N2O2 — CID 87293865

IUPACN-[(2-methylpropan-2-yl)oxy]nitrous amide
SMILESCC(C)(C)ONN=O
InChIInChI=1S/C4H10N2O2/c1-4(2,3)8-6-5-7/h1-3H3,(H,6,7)
InChIKeyYSCPIQWZZANCAT-UHFFFAOYSA-N
MW118.14 g/mol
LogP0.99
Rot. Bonds2

About N-[(2-methylpropan-2-yl)oxy]nitrous amide

N-[(2-methylpropan-2-yl)oxy]nitrous amide (PubChem CID 87293865) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]nitrous amide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]nitrous amide
PubChem CID87293865
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC NameN-[(2-methylpropan-2-yl)oxy]nitrous amide
SMILESCC(C)(C)ONN=O
InChIInChI=1S/C4H10N2O2/c1-4(2,3)8-6-5-7/h1-3H3,(H,6,7)
InChIKeyYSCPIQWZZANCAT-UHFFFAOYSA-N
XLogP0.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-methylpropan-2-yl)oxy]nitrous amide 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

tert-butyl nitrite;hydrobromide
CID 121397756
N-(chloromethoxy)nitrous amide
CID 90685769
2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 58200142
2-chloro-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82720220
methyl 3-methyl-3-nitrosobutanoate
CID 552574
2-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82760561
3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 82720828
3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one
CID 170257893
tert-butylperoxy nitrite
CID 174427320
2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 44508056
3,3-dimethyl-2-methylidene-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 175190936
3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82724126

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]nitrous amide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]nitrous amide (CID 87293865) is N-[(2-methylpropan-2-yl)oxy]nitrous amide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]nitrous amide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]nitrous amide is CC(C)(C)ONN=O.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]nitrous amide?
The InChIKey is YSCPIQWZZANCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-4(2,3)8-6-5-7/h1-3H3,(H,6,7).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]nitrous amide?
N-[(2-methylpropan-2-yl)oxy]nitrous amide has a molecular weight of 118.14 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]nitrous amide is sourced from PubChem (CID 87293865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).