N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide

C13H16N2O4 — CID 76949528

IUPACN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide
SMILESCC(=NO)c1ccc(NC(=O)C2COCCO2)cc1
InChIInChI=1S/C13H16N2O4/c1-9(15-17)10-2-4-11(5-3-10)14-13(16)12-8-18-6-7-19-12/h2-5,12,17H,6-8H2,1H3,(H,14,16)
InChIKeyCWKUZYKDJGNPNM-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.24
Rot. Bonds3

About N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide

N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide (PubChem CID 76949528) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide
PubChem CID76949528
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide
SMILESCC(=NO)c1ccc(NC(=O)C2COCCO2)cc1
InChIInChI=1S/C13H16N2O4/c1-9(15-17)10-2-4-11(5-3-10)14-13(16)12-8-18-6-7-19-12/h2-5,12,17H,6-8H2,1H3,(H,14,16)
InChIKeyCWKUZYKDJGNPNM-UHFFFAOYSA-N
XLogP1.24
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
N-(3-amino-4-methylphenyl)-1,4-dioxane-2-carboxamide
CID 55110602
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1,4-dioxane-2-carboxamide
CID 49169137
N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide
CID 47178164
N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide
CID 64788498
N-[4-(4-hydroxybut-1-ynyl)phenyl]-1,4-dioxane-2-carboxamide
CID 62805457
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,4-dioxane-2-carboxamide
CID 63901328
N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide
CID 62805272
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653
N-[3-(methylaminomethyl)phenyl]-1,4-dioxane-2-carboxamide
CID 43662818
(2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1,4-dioxane-2-carboxamide
CID 94002412

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide (CID 76949528) is N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide is CC(=NO)c1ccc(NC(=O)C2COCCO2)cc1.
What is the InChIKey of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide?
The InChIKey is CWKUZYKDJGNPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9(15-17)10-2-4-11(5-3-10)14-13(16)12-8-18-6-7-19-12/h2-5,12,17H,6-8H2,1H3,(H,14,16).
What are the key properties of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide?
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 76949528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).