N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide

C21H26N2O5 — CID 24560978

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)CCC(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1
InChIInChI=1S/C21H26N2O5/c1-23(14-15-4-6-17(25-2)13-19(15)26-3)9-8-21(24)22-16-5-7-18-20(12-16)28-11-10-27-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,24)
InChIKeyFOSBLKWJXIGQIZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.94
Rot. Bonds8

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide (PubChem CID 24560978) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide
PubChem CID24560978
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)CCC(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1
InChIInChI=1S/C21H26N2O5/c1-23(14-15-4-6-17(25-2)13-19(15)26-3)9-8-21(24)22-16-5-7-18-20(12-16)28-11-10-27-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,24)
InChIKeyFOSBLKWJXIGQIZ-UHFFFAOYSA-N
XLogP2.94
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 2219300
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 732712
N-(4-acetylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101527
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 31379973
N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101281
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022230
3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 24561001
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768018
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide (CID 24560978) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide is COc1ccc(CN(C)CCC(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is FOSBLKWJXIGQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-23(14-15-4-6-17(25-2)13-19(15)26-3)9-8-21(24)22-16-5-7-18-20(12-16)28-11-10-27-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 386.45 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 24560978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).