3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide

C22H18N2O5 — CID 109057628

IUPAC3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)c1
InChIInChI=1S/C22H18N2O5/c1-27-18-7-3-6-16(11-18)23-21(25)14-4-2-5-15(10-14)22(26)24-17-8-9-19-20(12-17)29-13-28-19/h2-12H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyBTULTPBMJMLRRI-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.93
Rot. Bonds5

About 3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide

3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057628) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109057628
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)c1
InChIInChI=1S/C22H18N2O5/c1-27-18-7-3-6-16(11-18)23-21(25)14-4-2-5-15(10-14)22(26)24-17-8-9-19-20(12-17)29-13-28-19/h2-12H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyBTULTPBMJMLRRI-UHFFFAOYSA-N
XLogP3.93
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245269
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
CID 55804746
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113019421
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-(1,3-benzodioxol-5-yl)-3-(2-methylpropanoylamino)benzamide
CID 649011
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057769
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 7986010
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112983594
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604841
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057767

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide (CID 109057628) is 3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide is COc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)c1.
What is the InChIKey of 3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is BTULTPBMJMLRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-27-18-7-3-6-16(11-18)23-21(25)14-4-2-5-15(10-14)22(26)24-17-8-9-19-20(12-17)29-13-28-19/h2-12H,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 390.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).