2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide

C24H22N2O4 — CID 42905010

IUPAC2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
SMILESCN(CC1COc2ccccc2O1)C(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-26(15-18-16-29-21-13-7-8-14-22(21)30-18)24(28)19-11-5-6-12-20(19)25-23(27)17-9-3-2-4-10-17/h2-14,18H,15-16H2,1H3,(H,25,27)
InChIKeyGQNWUDJJKLEFLW-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.85
Rot. Bonds5

About 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide

2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide (PubChem CID 42905010) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
PubChem CID42905010
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
SMILESCN(CC1COc2ccccc2O1)C(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-26(15-18-16-29-21-13-7-8-14-22(21)30-18)24(28)19-11-5-6-12-20(19)25-23(27)17-9-3-2-4-10-17/h2-14,18H,15-16H2,1H3,(H,25,27)
InChIKeyGQNWUDJJKLEFLW-UHFFFAOYSA-N
XLogP3.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 43009601
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-N-methylbenzamide
CID 51144792
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 51960827
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,4-trimethylbenzamide
CID 51144829
2,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
CID 55329965
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,5-trimethylfuran-3-carboxamide
CID 112792039
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-iodo-N-methylbenzamide
CID 112791992
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,4-difluoro-N-methylbenzamide
CID 51144824
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,3-trimethylquinoxaline-6-carboxamide
CID 42894511
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 34765093
N-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-2-oxoethyl]-4-fluorobenzamide
CID 51162552
N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide
CID 41169797

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide?
The IUPAC name of 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide (CID 42905010) is 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide is CN(CC1COc2ccccc2O1)C(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide?
The InChIKey is GQNWUDJJKLEFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-26(15-18-16-29-21-13-7-8-14-22(21)30-18)24(28)19-11-5-6-12-20(19)25-23(27)17-9-3-2-4-10-17/h2-14,18H,15-16H2,1H3,(H,25,27).
What are the key properties of 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide?
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide has a molecular weight of 402.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 42905010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).