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

C18H19NO4 — CID 110699600

IUPACN-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccc2c1OCCO2
InChIInChI=1S/C18H19NO4/c1-12(2)23-15-8-4-3-7-14(15)19-18(20)13-6-5-9-16-17(13)22-11-10-21-16/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyIPYAPOZPYSQQQX-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.50
Rot. Bonds4

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

N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 110699600) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID110699600
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccc2c1OCCO2
InChIInChI=1S/C18H19NO4/c1-12(2)23-15-8-4-3-7-14(15)19-18(20)13-6-5-9-16-17(13)22-11-10-21-16/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyIPYAPOZPYSQQQX-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-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52773243
N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 47455792
N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 38999351
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide
CID 39000210
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 155977100
N-[3-[(1S)-1-methoxyethyl]phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 95302089
(2R)-2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)propanoic acid
CID 54991570
2-chloro-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide
CID 106685838
2-oxo-N-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carboxamide
CID 110692726
2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150872
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614630

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 110699600) is N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cccc2c1OCCO2.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is IPYAPOZPYSQQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12(2)23-15-8-4-3-7-14(15)19-18(20)13-6-5-9-16-17(13)22-11-10-21-16/h3-9,12H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(2-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-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 110699600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).