N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C18H17NO5 — CID 650457

IUPACN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)C3COc4ccccc4O3)cc2O1
InChIInChI=1S/C18H17NO5/c1-18(2)23-14-8-7-11(9-15(14)24-18)19-17(20)16-10-21-12-5-3-4-6-13(12)22-16/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyHXKQOSLWTVPBPN-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.97
Rot. Bonds2

About N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 650457) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID650457
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)C3COc4ccccc4O3)cc2O1
InChIInChI=1S/C18H17NO5/c1-18(2)23-14-8-7-11(9-15(14)24-18)19-17(20)16-10-21-12-5-3-4-6-13(12)22-16/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyHXKQOSLWTVPBPN-UHFFFAOYSA-N
XLogP2.97
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788350
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 835559
N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788369
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788330
3-(3,4-Diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione
CID 139594652
N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide
CID 2970691
N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenoxy)acetamide
CID 836014
N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide
CID 837107
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 868039
N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenoxy)acetamide
CID 870495
1-(1,3-Benzodioxol-5-yl)-3-(2-ethoxyphenyl)urea
CID 970394

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 650457) is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1(C)Oc2ccc(NC(=O)C3COc4ccccc4O3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is HXKQOSLWTVPBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-18(2)23-14-8-7-11(9-15(14)24-18)19-17(20)16-10-21-12-5-3-4-6-13(12)22-16/h3-9,16H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 650457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).