N-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine

C13H19NO4 — CID 24977713

IUPACN-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine
SMILESCC(C)(NO)C(OC1OCCO1)c1ccccc1
InChIInChI=1S/C13H19NO4/c1-13(2,14-15)11(10-6-4-3-5-7-10)18-12-16-8-9-17-12/h3-7,11-12,14-15H,8-9H2,1-2H3
InChIKeyCBYHQCDZFVGRPE-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.83
Rot. Bonds5

About N-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine

N-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine (PubChem CID 24977713) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine
PubChem CID24977713
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine
SMILESCC(C)(NO)C(OC1OCCO1)c1ccccc1
InChIInChI=1S/C13H19NO4/c1-13(2,14-15)11(10-6-4-3-5-7-10)18-12-16-8-9-17-12/h3-7,11-12,14-15H,8-9H2,1-2H3
InChIKeyCBYHQCDZFVGRPE-UHFFFAOYSA-N
XLogP1.83
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine?
The IUPAC name of N-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine (CID 24977713) is N-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine.
What is the SMILES notation for N-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine?
The canonical SMILES for N-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine is CC(C)(NO)C(OC1OCCO1)c1ccccc1.
What is the InChIKey of N-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine?
The InChIKey is CBYHQCDZFVGRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(2,14-15)11(10-6-4-3-5-7-10)18-12-16-8-9-17-12/h3-7,11-12,14-15H,8-9H2,1-2H3.
What are the key properties of N-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine?
N-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine has a molecular weight of 253.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dioxolan-2-yloxy)-2-methyl-1-phenylpropan-2-yl]hydroxylamine is sourced from PubChem (CID 24977713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).