N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide

C12H16N2O4 — CID 63258036

IUPACN-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)C2COCCO2)c1
InChIInChI=1S/C12H16N2O4/c1-16-8-2-3-9(13)10(6-8)14-12(15)11-7-17-4-5-18-11/h2-3,6,11H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyBICSJHHELYEPDJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.63
Rot. Bonds3

About N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide

N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide (PubChem CID 63258036) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide
PubChem CID63258036
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)C2COCCO2)c1
InChIInChI=1S/C12H16N2O4/c1-16-8-2-3-9(13)10(6-8)14-12(15)11-7-17-4-5-18-11/h2-3,6,11H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyBICSJHHELYEPDJ-UHFFFAOYSA-N
XLogP0.63
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330891
N-(2-amino-5-propylsulfanylphenyl)-1,4-dioxane-2-carboxamide
CID 62799710
N-(6-amino-1,3-benzodioxol-5-yl)-1,4-dioxane-2-carboxamide;hydrochloride
CID 119261098
N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide
CID 119420780
N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride
CID 119421357
N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide
CID 55110367
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
N-(3-amino-4-methylphenyl)-1,4-dioxane-2-carboxamide
CID 55110602
N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420928
N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119421456
N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119421668
N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide
CID 47178164

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide (CID 63258036) is N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide is COc1ccc(N)c(NC(=O)C2COCCO2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide?
The InChIKey is BICSJHHELYEPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-16-8-2-3-9(13)10(6-8)14-12(15)11-7-17-4-5-18-11/h2-3,6,11H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide?
N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 63258036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).