N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C16H16N2O3 — CID 43614559

IUPACN-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCc1cccc(N)c1NC(=O)c1cccc2c1OCCO2
InChIInChI=1S/C16H16N2O3/c1-10-4-2-6-12(17)14(10)18-16(19)11-5-3-7-13-15(11)21-9-8-20-13/h2-7H,8-9,17H2,1H3,(H,18,19)
InChIKeyBRPFFWNQIIXJTJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.60
Rot. Bonds2

About N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 43614559) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID43614559
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCc1cccc(N)c1NC(=O)c1cccc2c1OCCO2
InChIInChI=1S/C16H16N2O3/c1-10-4-2-6-12(17)14(10)18-16(19)11-5-3-7-13-15(11)21-9-8-20-13/h2-7H,8-9,17H2,1H3,(H,18,19)
InChIKeyBRPFFWNQIIXJTJ-UHFFFAOYSA-N
XLogP2.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 155977100
N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 47455792
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 86852024
N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802397
N-(2-amino-6-methylphenyl)-2,4-dimethylbenzamide
CID 43330062
N-[(2R)-1-amino-1-oxopropan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 95339712
N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 43330066
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90363736
N-(2-amino-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 63902687
N-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 63733821
N-[3-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614601
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52773243

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 43614559) is N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is Cc1cccc(N)c1NC(=O)c1cccc2c1OCCO2.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is BRPFFWNQIIXJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-4-2-6-12(17)14(10)18-16(19)11-5-3-7-13-15(11)21-9-8-20-13/h2-7H,8-9,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 43614559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).