N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide

C20H23NO6 — CID 16766246

IUPACN-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCCC1(C)Oc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2O1
InChIInChI=1S/C20H23NO6/c1-6-20(2)26-14-8-7-13(11-15(14)27-20)21-19(22)12-9-16(23-3)18(25-5)17(10-12)24-4/h7-11H,6H2,1-5H3,(H,21,22)
InChIKeyKKBLQPDYEMOCBI-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.86
Rot. Bonds6

About N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide

N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide (PubChem CID 16766246) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide
PubChem CID16766246
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC NameN-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCCC1(C)Oc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2O1
InChIInChI=1S/C20H23NO6/c1-6-20(2)26-14-8-7-13(11-15(14)27-20)21-19(22)12-9-16(23-3)18(25-5)17(10-12)24-4/h7-11H,6H2,1-5H3,(H,21,22)
InChIKeyKKBLQPDYEMOCBI-UHFFFAOYSA-N
XLogP3.86
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3,4,5-triethoxybenzamide
CID 55727633
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 99637145
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 99637181
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylbenzamide
CID 2975835
N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide
CID 2230182
3,4,5-trimethoxy-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzamide
CID 40887214
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide
CID 26954091
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide (CID 16766246) is N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide is CCC1(C)Oc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2O1.
What is the InChIKey of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is KKBLQPDYEMOCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-6-20(2)26-14-8-7-13(11-15(14)27-20)21-19(22)12-9-16(23-3)18(25-5)17(10-12)24-4/h7-11H,6H2,1-5H3,(H,21,22).
What are the key properties of N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide?
N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 373.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 16766246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).