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

C22H19NO3 — CID 42904694

IUPACN-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(C1COc2ccccc2O1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3/c24-22(21-16-25-19-13-7-8-14-20(19)26-21)23(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,21H,15-16H2
InChIKeyIOTPEYPLMNTJTB-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.06
Rot. Bonds4

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

N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 42904694) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID42904694
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(C1COc2ccccc2O1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3/c24-22(21-16-25-19-13-7-8-14-20(19)26-21)23(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,21H,15-16H2
InChIKeyIOTPEYPLMNTJTB-UHFFFAOYSA-N
XLogP4.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17015071
N-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18830920
N-(4-phenylphenyl)-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42788285
2-[carboxymethyl(2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]acetic acid
CID 63651788
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4665422
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001
N,N-bis(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 44883375
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134057912
(3S)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2715568
N-(2-aminoethyl)-N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 120886335
(3S)-N,N-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95989083

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 42904694) is N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(C1COc2ccccc2O1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is IOTPEYPLMNTJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-22(21-16-25-19-13-7-8-14-20(19)26-21)23(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,21H,15-16H2.
What are the key properties of N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 42904694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).