N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C18H19NO4 — CID 52773243

IUPACN-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc3c2OCCO3)cc1
InChIInChI=1S/C18H19NO4/c1-12(2)23-14-8-6-13(7-9-14)19-18(20)15-4-3-5-16-17(15)22-11-10-21-16/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyQKSZSCVTGWCOAM-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.50
Rot. Bonds4

About N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 52773243) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID52773243
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc3c2OCCO3)cc1
InChIInChI=1S/C18H19NO4/c1-12(2)23-14-8-6-13(7-9-14)19-18(20)15-4-3-5-16-17(15)22-11-10-21-16/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyQKSZSCVTGWCOAM-UHFFFAOYSA-N
XLogP3.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 110699600
N-[3-[(1S)-1-methoxyethyl]phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 95302089
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 94206602
methyl 3-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)benzoate
CID 110699611
3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide
CID 103988657
(2R)-2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)propanoic acid
CID 54991570
N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122302417
2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 103853348
N-[(2R)-1-amino-1-oxopropan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 95339712
N-(3,5-difluoro-4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60610928
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955901
N-[2-(2-methylpropanoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 68725763

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 52773243) is N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is CC(C)Oc1ccc(NC(=O)c2cccc3c2OCCO3)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is QKSZSCVTGWCOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12(2)23-14-8-6-13(7-9-14)19-18(20)15-4-3-5-16-17(15)22-11-10-21-16/h3-9,12H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 52773243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).