1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide

C23H20N2O4 — CID 109057160

IUPAC1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)c(C)c1
InChIInChI=1S/C23H20N2O4/c1-14-6-8-19(15(2)10-14)25-23(27)17-5-3-4-16(11-17)22(26)24-18-7-9-20-21(12-18)29-13-28-20/h3-12H,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHXDDCVNSCHXJHL-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.54
Rot. Bonds4

About 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide

1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057160) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
PubChem CID109057160
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)c(C)c1
InChIInChI=1S/C23H20N2O4/c1-14-6-8-19(15(2)10-14)25-23(27)17-5-3-4-16(11-17)22(26)24-18-7-9-20-21(12-18)29-13-28-20/h3-12H,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHXDDCVNSCHXJHL-UHFFFAOYSA-N
XLogP4.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1092870
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057767
1-N-(1,3-benzodioxol-5-yl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057439
N-(1,3-benzodioxol-5-yl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967844
1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057157
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 39185578
N-(1,3-benzodioxol-5-yl)-3-(2-methylpropanoylamino)benzamide
CID 649011
6-(1,3-benzodioxol-5-ylamino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848902
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057769

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide (CID 109057160) is 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide is Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)c(C)c1.
What is the InChIKey of 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is HXDDCVNSCHXJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-6-8-19(15(2)10-14)25-23(27)17-5-3-4-16(11-17)22(26)24-18-7-9-20-21(12-18)29-13-28-20/h3-12H,13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide?
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 388.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).