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

C17H17NO4 — CID 39741115

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H17NO4/c1-18-17(19)12-4-5-14(20-2)13(9-12)11-3-6-15-16(10-11)22-8-7-21-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyTYBJCUCMLRBYRH-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.49
Rot. Bonds3

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide (PubChem CID 39741115) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide
PubChem CID39741115
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H17NO4/c1-18-17(19)12-4-5-14(20-2)13(9-12)11-3-6-15-16(10-11)22-8-7-21-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyTYBJCUCMLRBYRH-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-4-methoxybenzoic acid
CID 82039175
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7934883
3-[2-(dimethylamino)phenyl]-4-methoxy-N-methylbenzamide
CID 119069642
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2476387
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28671053
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25237075
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
CID 1000603
3-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridazine-4-carboxamide
CID 83572416
4-methoxy-N-methyl-3-[4-[[(2S)-pyrrolidin-2-yl]methylcarbamoyl]phenyl]benzamide;hydrochloride
CID 154904287
[2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite
CID 122522384

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide (CID 39741115) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide is CNC(=O)c1ccc(OC)c(-c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide?
The InChIKey is TYBJCUCMLRBYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-18-17(19)12-4-5-14(20-2)13(9-12)11-3-6-15-16(10-11)22-8-7-21-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide has a molecular weight of 299.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 39741115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).