N-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide

C14H19NO3 — CID 75415902

IUPACN-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide
SMILESCN(Cc1ccccc1O)C(=O)C1CCOCC1
InChIInChI=1S/C14H19NO3/c1-15(10-12-4-2-3-5-13(12)16)14(17)11-6-8-18-9-7-11/h2-5,11,16H,6-10H2,1H3
InChIKeyCRYLBACZHZNGIJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.78
Rot. Bonds3

About N-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide

N-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide (PubChem CID 75415902) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide
PubChem CID75415902
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide
SMILESCN(Cc1ccccc1O)C(=O)C1CCOCC1
InChIInChI=1S/C14H19NO3/c1-15(10-12-4-2-3-5-13(12)16)14(17)11-6-8-18-9-7-11/h2-5,11,16H,6-10H2,1H3
InChIKeyCRYLBACZHZNGIJ-UHFFFAOYSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide (CID 75415902) is N-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide is CN(Cc1ccccc1O)C(=O)C1CCOCC1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide?
The InChIKey is CRYLBACZHZNGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(10-12-4-2-3-5-13(12)16)14(17)11-6-8-18-9-7-11/h2-5,11,16H,6-10H2,1H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide?
N-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-N-methyloxane-4-carboxamide is sourced from PubChem (CID 75415902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).