N-phenylmethoxy-1,4-dioxane-2-carboxamide

C12H15NO4 — CID 60756176

IUPACN-phenylmethoxy-1,4-dioxane-2-carboxamide
SMILESO=C(NOCc1ccccc1)C1COCCO1
InChIInChI=1S/C12H15NO4/c14-12(11-9-15-6-7-16-11)13-17-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChIKeyQQTFKZVAOUCGKI-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.65
Rot. Bonds4

About N-phenylmethoxy-1,4-dioxane-2-carboxamide

N-phenylmethoxy-1,4-dioxane-2-carboxamide (PubChem CID 60756176) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-phenylmethoxy-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-phenylmethoxy-1,4-dioxane-2-carboxamide
PubChem CID60756176
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-phenylmethoxy-1,4-dioxane-2-carboxamide
SMILESO=C(NOCc1ccccc1)C1COCCO1
InChIInChI=1S/C12H15NO4/c14-12(11-9-15-6-7-16-11)13-17-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChIKeyQQTFKZVAOUCGKI-UHFFFAOYSA-N
XLogP0.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenylmethoxy-1,4-dioxane-2-carboxamide?
The IUPAC name of N-phenylmethoxy-1,4-dioxane-2-carboxamide (CID 60756176) is N-phenylmethoxy-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-phenylmethoxy-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-phenylmethoxy-1,4-dioxane-2-carboxamide is O=C(NOCc1ccccc1)C1COCCO1.
What is the InChIKey of N-phenylmethoxy-1,4-dioxane-2-carboxamide?
The InChIKey is QQTFKZVAOUCGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-12(11-9-15-6-7-16-11)13-17-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14).
What are the key properties of N-phenylmethoxy-1,4-dioxane-2-carboxamide?
N-phenylmethoxy-1,4-dioxane-2-carboxamide has a molecular weight of 237.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 60756176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).