N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C16H15NO3 — CID 17015071

IUPACN-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCN(C(=O)C1COc2ccccc2O1)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-17(12-7-3-2-4-8-12)16(18)15-11-19-13-9-5-6-10-14(13)20-15/h2-10,15H,11H2,1H3
InChIKeyNKHFUWXPKFRIAY-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.49
Rot. Bonds2

About N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 17015071) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID17015071
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCN(C(=O)C1COc2ccccc2O1)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-17(12-7-3-2-4-8-12)16(18)15-11-19-13-9-5-6-10-14(13)20-15/h2-10,15H,11H2,1H3
InChIKeyNKHFUWXPKFRIAY-UHFFFAOYSA-N
XLogP2.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 61295625
(3S)-N-(3,4-dimethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94798691
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134057912
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
N-benzhydryl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4212192
(3S)-N,N-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95989083
N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42904694
2-[carboxymethyl(2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]acetic acid
CID 63651788
N-(2-hydroxy-2-methylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 79291238
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001
N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 61360184
N,N-bis(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 44883375

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 17015071) is N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CN(C(=O)C1COc2ccccc2O1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is NKHFUWXPKFRIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17(12-7-3-2-4-8-12)16(18)15-11-19-13-9-5-6-10-14(13)20-15/h2-10,15H,11H2,1H3.
What are the key properties of N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 17015071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).