N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H21NO3 — CID 51286352

IUPACN,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-13(15-9-5-4-6-10-15)20(3)19(21)18-14(2)22-16-11-7-8-12-17(16)23-18/h4-14,18H,1-3H3
InChIKeyXSJCWXZOINKKMM-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.43
Rot. Bonds3

About N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 51286352) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID51286352
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-13(15-9-5-4-6-10-15)20(3)19(21)18-14(2)22-16-11-7-8-12-17(16)23-18/h4-14,18H,1-3H3
InChIKeyXSJCWXZOINKKMM-UHFFFAOYSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 115691468
2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51284843
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51232488
N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 60703627
methyl(1-phenylethyl)carbamic acid
CID 67062794
N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43573422
2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43579997
2-methyl-N-(1-phenylbutyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46808058
N,2-dimethyl-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 112818417
4-[methyl-[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]butanoic acid
CID 93310404
N-methyl-N-[(1S)-1-phenylethyl]-1-trimethylsilylformamide
CID 102208486
(2S,3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 93275715

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 51286352) is N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1Oc2ccccc2OC1C(=O)N(C)C(C)c1ccccc1.
What is the InChIKey of N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is XSJCWXZOINKKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(15-9-5-4-6-10-15)20(3)19(21)18-14(2)22-16-11-7-8-12-17(16)23-18/h4-14,18H,1-3H3.
What are the key properties of N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 51286352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).