4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

C20H21NO5 — CID 5304575

IUPAC4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc3c(cc2C(=O)C(C)C)OCCO3)cc1
InChIInChI=1S/C20H21NO5/c1-12(2)19(22)15-10-17-18(26-9-8-25-17)11-16(15)21-20(23)13-4-6-14(24-3)7-5-13/h4-7,10-12H,8-9H2,1-3H3,(H,21,23)
InChIKeyJULHDELCNUWZAM-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.56
Rot. Bonds5

About 4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide (PubChem CID 5304575) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
PubChem CID5304575
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc3c(cc2C(=O)C(C)C)OCCO3)cc1
InChIInChI=1S/C20H21NO5/c1-12(2)19(22)15-10-17-18(26-9-8-25-17)11-16(15)21-20(23)13-4-6-14(24-3)7-5-13/h4-7,10-12H,8-9H2,1-3H3,(H,21,23)
InChIKeyJULHDELCNUWZAM-UHFFFAOYSA-N
XLogP3.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 1266090
N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-nitrobenzamide
CID 1242167
4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 53338560
2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide
CID 5311859
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 17498842
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2834223
N-[(1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methoxybenzamide
CID 1008402
N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-4-[(4-methoxyphenyl)diazenyl]benzamide
CID 102336284
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55663053
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 4319364

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The IUPAC name of 4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide (CID 5304575) is 4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide is COc1ccc(C(=O)Nc2cc3c(cc2C(=O)C(C)C)OCCO3)cc1.
What is the InChIKey of 4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The InChIKey is JULHDELCNUWZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-12(2)19(22)15-10-17-18(26-9-8-25-17)11-16(15)21-20(23)13-4-6-14(24-3)7-5-13/h4-7,10-12H,8-9H2,1-3H3,(H,21,23).
What are the key properties of 4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide has a molecular weight of 355.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide is sourced from PubChem (CID 5304575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).