(2S)-N-phenyl-1,4-dioxane-2-carboxamide

C11H13NO3 — CID 39885866

IUPAC(2S)-N-phenyl-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1COCCO1
InChIInChI=1S/C11H13NO3/c13-11(10-8-14-6-7-15-10)12-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m0/s1
InChIKeyAMBSRHNVKIEEFT-JTQLQIEISA-N
MW207.23 g/mol
LogP1.04
Rot. Bonds2

About (2S)-N-phenyl-1,4-dioxane-2-carboxamide

(2S)-N-phenyl-1,4-dioxane-2-carboxamide (PubChem CID 39885866) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2S)-N-phenyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-phenyl-1,4-dioxane-2-carboxamide
PubChem CID39885866
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2S)-N-phenyl-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1COCCO1
InChIInChI=1S/C11H13NO3/c13-11(10-8-14-6-7-15-10)12-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m0/s1
InChIKeyAMBSRHNVKIEEFT-JTQLQIEISA-N
XLogP1.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-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
2-(1,4-dioxane-2-carbonylamino)benzoic acid
CID 43353060
N-(3-ethynylphenyl)-1,4-dioxane-2-carboxamide
CID 47176741
N-phenyloxolane-2-carboxamide
CID 3453643
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide
CID 76949528
N-[3-(methylaminomethyl)phenyl]-1,4-dioxane-2-carboxamide
CID 43662818
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-amino-4-methylphenyl)-1,4-dioxane-2-carboxamide
CID 55110602
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1,4-dioxane-2-carboxamide
CID 49169137

Frequently Asked Questions

What is the IUPAC name of (2S)-N-phenyl-1,4-dioxane-2-carboxamide?
The IUPAC name of (2S)-N-phenyl-1,4-dioxane-2-carboxamide (CID 39885866) is (2S)-N-phenyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2S)-N-phenyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2S)-N-phenyl-1,4-dioxane-2-carboxamide is O=C(Nc1ccccc1)[C@@H]1COCCO1.
What is the InChIKey of (2S)-N-phenyl-1,4-dioxane-2-carboxamide?
The InChIKey is AMBSRHNVKIEEFT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO3/c13-11(10-8-14-6-7-15-10)12-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m0/s1.
What are the key properties of (2S)-N-phenyl-1,4-dioxane-2-carboxamide?
(2S)-N-phenyl-1,4-dioxane-2-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-phenyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 39885866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).