N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide

C24H19NO7 — CID 24718455

IUPACN-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(c1ccc2c(c1)OCO2)N(Cc1ccc2c(c1)OCO2)Cc1cccc2c1OCO2
InChIInChI=1S/C24H19NO7/c26-24(16-5-7-19-22(9-16)31-13-28-19)25(10-15-4-6-18-21(8-15)30-12-27-18)11-17-2-1-3-20-23(17)32-14-29-20/h1-9H,10-14H2
InChIKeyPYAMBXMYIVLWCC-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.72
Rot. Bonds5

About N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide

N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 24718455) has the molecular formula C24H19NO7 and a molecular weight of 433.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID24718455
Molecular FormulaC24H19NO7
Molecular Weight433.42 g/mol
Exact Mass433.12
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(c1ccc2c(c1)OCO2)N(Cc1ccc2c(c1)OCO2)Cc1cccc2c1OCO2
InChIInChI=1S/C24H19NO7/c26-24(16-5-7-19-22(9-16)31-13-28-19)25(10-15-4-6-18-21(8-15)30-12-27-18)11-17-2-1-3-20-23(17)32-14-29-20/h1-9H,10-14H2
InChIKeyPYAMBXMYIVLWCC-UHFFFAOYSA-N
XLogP3.72
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

methyl 3-[1,3-benzodioxol-4-ylmethyl(1,3-benzodioxol-5-ylmethyl)carbamoyl]pyridine-4-carboxylate
CID 42784693
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide
CID 42776726
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 42724439
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42724305
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluorobenzamide
CID 3194047
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 3400775
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide (CID 24718455) is N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide is O=C(c1ccc2c(c1)OCO2)N(Cc1ccc2c(c1)OCO2)Cc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is PYAMBXMYIVLWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO7/c26-24(16-5-7-19-22(9-16)31-13-28-19)25(10-15-4-6-18-21(8-15)30-12-27-18)11-17-2-1-3-20-23(17)32-14-29-20/h1-9H,10-14H2.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide?
N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 24718455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).