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

C17H17NO3 — CID 60622208

IUPACN-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cccc3c2OCCO3)cc1
InChIInChI=1S/C17H17NO3/c1-12-6-8-13(9-7-12)18(2)17(19)14-4-3-5-15-16(14)21-11-10-20-15/h3-9H,10-11H2,1-2H3
InChIKeyURVHZRWZENPBEZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.04
Rot. Bonds2

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

N-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 60622208) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID60622208
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cccc3c2OCCO3)cc1
InChIInChI=1S/C17H17NO3/c1-12-6-8-13(9-7-12)18(2)17(19)14-4-3-5-15-16(14)21-11-10-20-15/h3-9H,10-11H2,1-2H3
InChIKeyURVHZRWZENPBEZ-UHFFFAOYSA-N
XLogP3.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098
2,3-dihydro-1,4-benzodioxin-5-yl-(2,5-dimethylphenyl)methanone
CID 105085688
N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52773193
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-methylbut-2-en-1-one
CID 105112798
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide
CID 110752792
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylprop-2-en-1-one
CID 105113038
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90363736
N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614686
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 64510640
N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 163477302
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-methylphenyl)butane-1,4-dione
CID 90363738
N-(3-amino-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62666688

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 60622208) is N-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is Cc1ccc(N(C)C(=O)c2cccc3c2OCCO3)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is URVHZRWZENPBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-6-8-13(9-7-12)18(2)17(19)14-4-3-5-15-16(14)21-11-10-20-15/h3-9H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 60622208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).