N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C12H14N2O4 — CID 61240817

IUPACN-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1cc(NC(=O)C2=COCCO2)ccc1N
InChIInChI=1S/C12H14N2O4/c1-16-10-6-8(2-3-9(10)13)14-12(15)11-7-17-4-5-18-11/h2-3,6-7H,4-5,13H2,1H3,(H,14,15)
InChIKeyBXMSSWRGMACUTI-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.10
Rot. Bonds3

About N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 61240817) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID61240817
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1cc(NC(=O)C2=COCCO2)ccc1N
InChIInChI=1S/C12H14N2O4/c1-16-10-6-8(2-3-9(10)13)14-12(15)11-7-17-4-5-18-11/h2-3,6-7H,4-5,13H2,1H3,(H,14,15)
InChIKeyBXMSSWRGMACUTI-UHFFFAOYSA-N
XLogP1.10
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.10
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-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 60631239
N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7778280
N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18139939
N-(5-tert-butyl-2-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7718762
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156
N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103789893
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 45106361
N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 61239849
3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
CID 79154526
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 61240817) is N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is COc1cc(NC(=O)C2=COCCO2)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is BXMSSWRGMACUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-16-10-6-8(2-3-9(10)13)14-12(15)11-7-17-4-5-18-11/h2-3,6-7H,4-5,13H2,1H3,(H,14,15).
What are the key properties of N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 250.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 61240817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).