N-hydroxy-2-methyl-N-propylprop-2-enamide;phenol

C13H19NO3 — CID 174808908

IUPACN-hydroxy-2-methyl-N-propylprop-2-enamide;phenol
SMILESC=C(C)C(=O)N(O)CCC.Oc1ccccc1
InChIInChI=1S/C7H13NO2.C6H6O/c1-4-5-8(10)7(9)6(2)3;7-6-4-2-1-3-5-6/h10H,2,4-5H2,1,3H3;1-5,7H
InChIKeyLUVVQOXYNLUDAA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.58
Rot. Bonds3

About N-hydroxy-2-methyl-N-propylprop-2-enamide;phenol

N-hydroxy-2-methyl-N-propylprop-2-enamide;phenol (PubChem CID 174808908) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-hydroxy-2-methyl-N-propylprop-2-enamide;phenol.

Molecular Properties

Compound NameN-hydroxy-2-methyl-N-propylprop-2-enamide;phenol
PubChem CID174808908
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-hydroxy-2-methyl-N-propylprop-2-enamide;phenol
SMILESC=C(C)C(=O)N(O)CCC.Oc1ccccc1
InChIInChI=1S/C7H13NO2.C6H6O/c1-4-5-8(10)7(9)6(2)3;7-6-4-2-1-3-5-6/h10H,2,4-5H2,1,3H3;1-5,7H
InChIKeyLUVVQOXYNLUDAA-UHFFFAOYSA-N
XLogP2.58
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-N-propylprop-2-enamide;phenol?
The IUPAC name of N-hydroxy-2-methyl-N-propylprop-2-enamide;phenol (CID 174808908) is N-hydroxy-2-methyl-N-propylprop-2-enamide;phenol.
What is the SMILES notation for N-hydroxy-2-methyl-N-propylprop-2-enamide;phenol?
The canonical SMILES for N-hydroxy-2-methyl-N-propylprop-2-enamide;phenol is C=C(C)C(=O)N(O)CCC.Oc1ccccc1.
What is the InChIKey of N-hydroxy-2-methyl-N-propylprop-2-enamide;phenol?
The InChIKey is LUVVQOXYNLUDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C6H6O/c1-4-5-8(10)7(9)6(2)3;7-6-4-2-1-3-5-6/h10H,2,4-5H2,1,3H3;1-5,7H.
What are the key properties of N-hydroxy-2-methyl-N-propylprop-2-enamide;phenol?
N-hydroxy-2-methyl-N-propylprop-2-enamide;phenol has a molecular weight of 237.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-N-propylprop-2-enamide;phenol is sourced from PubChem (CID 174808908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).