N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide

C9H17NO3 — CID 23292685

IUPACN-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)OCC(C)C
InChIInChI=1S/C9H17NO3/c1-6(2)5-13-9(12)10-8(11)7(3)4/h6,9,12H,3,5H2,1-2,4H3,(H,10,11)
InChIKeyJJNUILVRWVFGKU-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.63
Rot. Bonds5

About N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide

N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide (PubChem CID 23292685) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide
PubChem CID23292685
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)OCC(C)C
InChIInChI=1S/C9H17NO3/c1-6(2)5-13-9(12)10-8(11)7(3)4/h6,9,12H,3,5H2,1-2,4H3,(H,10,11)
InChIKeyJJNUILVRWVFGKU-UHFFFAOYSA-N
XLogP0.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide?
The IUPAC name of N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide (CID 23292685) is N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(O)OCC(C)C.
What is the InChIKey of N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide?
The InChIKey is JJNUILVRWVFGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)5-13-9(12)10-8(11)7(3)4/h6,9,12H,3,5H2,1-2,4H3,(H,10,11).
What are the key properties of N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide?
N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide has a molecular weight of 187.24 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide is sourced from PubChem (CID 23292685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).