N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide

C19H21NO4 — CID 110768018

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
SMILESCOc1cc(C)c(CC(=O)Nc2ccc3c(c2)OCCO3)cc1C
InChIInChI=1S/C19H21NO4/c1-12-9-17(22-3)13(2)8-14(12)10-19(21)20-15-4-5-16-18(11-15)24-7-6-23-16/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,20,21)
InChIKeyUGBHHUHTPZPSBG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.26
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide (PubChem CID 110768018) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
PubChem CID110768018
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
SMILESCOc1cc(C)c(CC(=O)Nc2ccc3c(c2)OCCO3)cc1C
InChIInChI=1S/C19H21NO4/c1-12-9-17(22-3)13(2)8-14(12)10-19(21)20-15-4-5-16-18(11-15)24-7-6-23-16/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,20,21)
InChIKeyUGBHHUHTPZPSBG-UHFFFAOYSA-N
XLogP3.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768014
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110767985
[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-methylphenyl]boronic acid
CID 166518703
N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 110370507
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2,6-dimethoxybenzamide
CID 110370532
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide
CID 109008848
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022230
N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768011
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide
CID 3105585
N-(4-fluorophenyl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770195
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide
CID 60702748

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide (CID 110768018) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide is COc1cc(C)c(CC(=O)Nc2ccc3c(c2)OCCO3)cc1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide?
The InChIKey is UGBHHUHTPZPSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12-9-17(22-3)13(2)8-14(12)10-19(21)20-15-4-5-16-18(11-15)24-7-6-23-16/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.26, 4 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-(4-methoxy-2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 110768018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).