2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide

C24H22N2O4 — CID 34765093

IUPAC2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-26(16-17-11-12-21-22(15-17)30-14-13-29-21)24(28)19-9-5-6-10-20(19)25-23(27)18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,25,27)
InChIKeySTXDBSCIXDDCIB-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.98
Rot. Bonds5

About 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide

2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide (PubChem CID 34765093) 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-6-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
PubChem CID34765093
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-26(16-17-11-12-21-22(15-17)30-14-13-29-21)24(28)19-9-5-6-10-20(19)25-23(27)18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,25,27)
InChIKeySTXDBSCIXDDCIB-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 35603946
2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78796586
N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide
CID 39758747
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-benzamidobenzoate
CID 16601012
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
CID 4937393
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
CID 6490722
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide
CID 32520142
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
CID 42905010
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethylbenzoyl)amino]benzamide
CID 8873844
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 62232596

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide?
The IUPAC name of 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide (CID 34765093) is 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide?
The InChIKey is STXDBSCIXDDCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-26(16-17-11-12-21-22(15-17)30-14-13-29-21)24(28)19-9-5-6-10-20(19)25-23(27)18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,25,27).
What are the key properties of 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide?
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide has a molecular weight of 402.45 g/mol, XLogP of 3.98, 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-6-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 34765093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).