N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H19NO4 — CID 2836288

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCC1OCCc2ccccc21)C1COc2ccccc2O1
InChIInChI=1S/C19H19NO4/c21-19(18-12-23-15-7-3-4-8-16(15)24-18)20-11-17-14-6-2-1-5-13(14)9-10-22-17/h1-8,17-18H,9-12H2,(H,20,21)
InChIKeyRGWVQOISFIWSGR-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.26
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2836288) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2836288
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCC1OCCc2ccccc21)C1COc2ccccc2O1
InChIInChI=1S/C19H19NO4/c21-19(18-12-23-15-7-3-4-8-16(15)24-18)20-11-17-14-6-2-1-5-13(14)9-10-22-17/h1-8,17-18H,9-12H2,(H,20,21)
InChIKeyRGWVQOISFIWSGR-UHFFFAOYSA-N
XLogP2.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2836288) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NCC1OCCc2ccccc21)C1COc2ccccc2O1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is RGWVQOISFIWSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-19(18-12-23-15-7-3-4-8-16(15)24-18)20-11-17-14-6-2-1-5-13(14)9-10-22-17/h1-8,17-18H,9-12H2,(H,20,21).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2836288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).