N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide

C17H17NO4 — CID 2996052

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO4/c1-11-4-3-5-13(16(11)20-2)17(19)18-12-6-7-14-15(10-12)22-9-8-21-14/h3-7,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyANTBHQYEZGHZBD-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.03
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide (PubChem CID 2996052) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
PubChem CID2996052
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO4/c1-11-4-3-5-13(16(11)20-2)17(19)18-12-6-7-14-15(10-12)22-9-8-21-14/h3-7,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyANTBHQYEZGHZBD-UHFFFAOYSA-N
XLogP3.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide
CID 17111500
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1H-indole-2-carboxamide
CID 110863295
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,6-dimethylphenyl)oxamide
CID 45000357
N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 2993738
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049332
2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 115539984
N-(9H-fluoren-2-yl)-2-methoxy-3-methylbenzamide
CID 17102504
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethylfuran-3-carboxamide
CID 112521563
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2,6-dimethoxybenzamide
CID 110370532

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide (CID 2996052) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide is COc1c(C)cccc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide?
The InChIKey is ANTBHQYEZGHZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-4-3-5-13(16(11)20-2)17(19)18-12-6-7-14-15(10-12)22-9-8-21-14/h3-7,10H,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide has a molecular weight of 299.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 2996052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).