4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide

C20H21NO6 — CID 51143686

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c(OC)c1
InChIInChI=1S/C20H21NO6/c1-24-14-4-5-15(18(12-14)25-2)21-20(23)8-6-16(22)13-3-7-17-19(11-13)27-10-9-26-17/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,21,23)
InChIKeyBDGDUWLPVWOYCF-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.08
Rot. Bonds7

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide (PubChem CID 51143686) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
PubChem CID51143686
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c(OC)c1
InChIInChI=1S/C20H21NO6/c1-24-14-4-5-15(18(12-14)25-2)21-20(23)8-6-16(22)13-3-7-17-19(11-13)27-10-9-26-17/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,21,23)
InChIKeyBDGDUWLPVWOYCF-UHFFFAOYSA-N
XLogP3.08
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143693
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 110823927
N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 18269206
[2-(2-methoxyanilino)-2-oxoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate
CID 7892605
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 9445381
N-(4-bromo-2-fluorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 134059437
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143680
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 167871152
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
CID 31772594
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110423070

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide (CID 51143686) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide is COc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c(OC)c1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide?
The InChIKey is BDGDUWLPVWOYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-24-14-4-5-15(18(12-14)25-2)21-20(23)8-6-16(22)13-3-7-17-19(11-13)27-10-9-26-17/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,21,23).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide has a molecular weight of 371.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 51143686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).