N-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide

C13H19NO4 — CID 87975363

IUPACN-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)OCC(O)c1ccccc1
InChIInChI=1S/C13H19NO4/c1-13(2,3)18-14(10-15)17-9-12(16)11-7-5-4-6-8-11/h4-8,10,12,16H,9H2,1-3H3
InChIKeyLMDMXKNXFBHIBU-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.84
Rot. Bonds6

About N-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide

N-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 87975363) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID87975363
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)OCC(O)c1ccccc1
InChIInChI=1S/C13H19NO4/c1-13(2,3)18-14(10-15)17-9-12(16)11-7-5-4-6-8-11/h4-8,10,12,16H,9H2,1-3H3
InChIKeyLMDMXKNXFBHIBU-UHFFFAOYSA-N
XLogP1.84
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide (CID 87975363) is N-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)OCC(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is LMDMXKNXFBHIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(2,3)18-14(10-15)17-9-12(16)11-7-5-4-6-8-11/h4-8,10,12,16H,9H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide?
N-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 253.30 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 87975363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).