N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C20H21NO3 — CID 126781476

IUPACN-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCC1(CNC(=O)c2cccc3c2OCCO3)Cc2ccccc2C1
InChIInChI=1S/C20H21NO3/c1-20(11-14-5-2-3-6-15(14)12-20)13-21-19(22)16-7-4-8-17-18(16)24-10-9-23-17/h2-8H,9-13H2,1H3,(H,21,22)
InChIKeySTXHTHNREQKCIW-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.99
Rot. Bonds3

About N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 126781476) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID126781476
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCC1(CNC(=O)c2cccc3c2OCCO3)Cc2ccccc2C1
InChIInChI=1S/C20H21NO3/c1-20(11-14-5-2-3-6-15(14)12-20)13-21-19(22)16-7-4-8-17-18(16)24-10-9-23-17/h2-8H,9-13H2,1H3,(H,21,22)
InChIKeySTXHTHNREQKCIW-UHFFFAOYSA-N
XLogP2.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 126781476) is N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is CC1(CNC(=O)c2cccc3c2OCCO3)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is STXHTHNREQKCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(11-14-5-2-3-6-15(14)12-20)13-21-19(22)16-7-4-8-17-18(16)24-10-9-23-17/h2-8H,9-13H2,1H3,(H,21,22).
What are the key properties of N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 126781476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).