N-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide

C23H21NO6 — CID 15765167

IUPACN-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide
SMILESCC(C)Oc1cc2c(cc1-c1ccc3cc4c(cc3c1N(C)C=O)OCO4)OCO2
InChIInChI=1S/C23H21NO6/c1-13(2)30-18-9-22-21(28-12-29-22)8-17(18)15-5-4-14-6-19-20(27-11-26-19)7-16(14)23(15)24(3)10-25/h4-10,13H,11-12H2,1-3H3
InChIKeyBYSXWGOROAVDHE-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.34
Rot. Bonds5

About N-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide

N-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide (PubChem CID 15765167) has the molecular formula C23H21NO6 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide.

Molecular Properties

Compound NameN-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide
PubChem CID15765167
Molecular FormulaC23H21NO6
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC NameN-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide
SMILESCC(C)Oc1cc2c(cc1-c1ccc3cc4c(cc3c1N(C)C=O)OCO4)OCO2
InChIInChI=1S/C23H21NO6/c1-13(2)30-18-9-22-21(28-12-29-22)8-17(18)15-5-4-14-6-19-20(27-11-26-19)7-16(14)23(15)24(3)10-25/h4-10,13H,11-12H2,1-3H3
InChIKeyBYSXWGOROAVDHE-UHFFFAOYSA-N
XLogP4.34
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide?
The IUPAC name of N-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide (CID 15765167) is N-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide.
What is the SMILES notation for N-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide?
The canonical SMILES for N-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide is CC(C)Oc1cc2c(cc1-c1ccc3cc4c(cc3c1N(C)C=O)OCO4)OCO2.
What is the InChIKey of N-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide?
The InChIKey is BYSXWGOROAVDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6/c1-13(2)30-18-9-22-21(28-12-29-22)8-17(18)15-5-4-14-6-19-20(27-11-26-19)7-16(14)23(15)24(3)10-25/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide?
N-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide has a molecular weight of 407.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[6-(6-propan-2-yloxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]formamide is sourced from PubChem (CID 15765167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).