N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C16H16N2O3 — CID 61295625

IUPACN-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCN(C(=O)C1COc2ccccc2O1)c1cccc(N)c1
InChIInChI=1S/C16H16N2O3/c1-18(12-6-4-5-11(17)9-12)16(19)15-10-20-13-7-2-3-8-14(13)21-15/h2-9,15H,10,17H2,1H3
InChIKeyKKTSHUHBIJFQAF-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.07
Rot. Bonds2

About N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 61295625) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID61295625
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCN(C(=O)C1COc2ccccc2O1)c1cccc(N)c1
InChIInChI=1S/C16H16N2O3/c1-18(12-6-4-5-11(17)9-12)16(19)15-10-20-13-7-2-3-8-14(13)21-15/h2-9,15H,10,17H2,1H3
InChIKeyKKTSHUHBIJFQAF-UHFFFAOYSA-N
XLogP2.07
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-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-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17015071
N-(3-aminophenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61296761
(3S)-N-(3,4-dimethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94798691
N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 61360184
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134057912
(3S)-N,N-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95989083
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
CID 65350957
N-benzhydryl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4212192
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 76929190
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
[(2R)-1-methoxy-1-oxopropan-2-yl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 94774529
N-(2-hydroxy-2-methylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 79291238

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 61295625) is N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CN(C(=O)C1COc2ccccc2O1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is KKTSHUHBIJFQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18(12-6-4-5-11(17)9-12)16(19)15-10-20-13-7-2-3-8-14(13)21-15/h2-9,15H,10,17H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 61295625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).