N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide

C18H19NO5 — CID 110753656

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(OC)c1C(=O)N(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO5/c1-19(10-12-7-8-13-16(9-12)24-11-23-13)18(20)17-14(21-2)5-4-6-15(17)22-3/h4-9H,10-11H2,1-3H3
InChIKeyOLZLOUDNXYSWIJ-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.70
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide

N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide (PubChem CID 110753656) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide
PubChem CID110753656
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(OC)c1C(=O)N(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO5/c1-19(10-12-7-8-13-16(9-12)24-11-23-13)18(20)17-14(21-2)5-4-6-15(17)22-3/h4-9H,10-11H2,1-3H3
InChIKeyOLZLOUDNXYSWIJ-UHFFFAOYSA-N
XLogP2.70
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 18111575
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 32773709
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide
CID 60656747
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38149909
5-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18116239
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17453736
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431122

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide (CID 110753656) is N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide is COc1cccc(OC)c1C(=O)N(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide?
The InChIKey is OLZLOUDNXYSWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-19(10-12-7-8-13-16(9-12)24-11-23-13)18(20)17-14(21-2)5-4-6-15(17)22-3/h4-9H,10-11H2,1-3H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide has a molecular weight of 329.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 110753656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).