N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide

C20H22N2O4 — CID 113063038

IUPACN-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O4/c1-14-5-3-4-6-17(14)20(24)21-9-10-22(15(2)23)16-7-8-18-19(13-16)26-12-11-25-18/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyFJOXEFQWLSBWOR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.55
Rot. Bonds5

About N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide

N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide (PubChem CID 113063038) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide
PubChem CID113063038
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O4/c1-14-5-3-4-6-17(14)20(24)21-9-10-22(15(2)23)16-7-8-18-19(13-16)26-12-11-25-18/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyFJOXEFQWLSBWOR-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-methylbenzamide
CID 113062948
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-phenylacetamide
CID 113063051
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-ethylbutanamide
CID 113063034
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide
CID 113063025
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113063065
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide
CID 113133036
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide
CID 113062950
N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide
CID 113062914
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide
CID 113071641
methyl 3-[acetyl-[2-[(2-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113061955
N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide
CID 113060837
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide
CID 110752792

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide (CID 113063038) is N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide is CC(=O)N(CCNC(=O)c1ccccc1C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide?
The InChIKey is FJOXEFQWLSBWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-5-3-4-6-17(14)20(24)21-9-10-22(15(2)23)16-7-8-18-19(13-16)26-12-11-25-18/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide?
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide is sourced from PubChem (CID 113063038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).