1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide

C23H20N2O4 — CID 109057624

IUPAC1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C(C)=O)c3)c2)c1
InChIInChI=1S/C23H20N2O4/c1-15(26)16-6-4-9-19(13-16)24-22(27)17-7-3-8-18(12-17)23(28)25-20-10-5-11-21(14-20)29-2/h3-14H,1-2H3,(H,24,27)(H,25,28)
InChIKeyVMRZYPGIAUTGDF-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.40
Rot. Bonds6

About 1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide

1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057624) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109057624
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C(C)=O)c3)c2)c1
InChIInChI=1S/C23H20N2O4/c1-15(26)16-6-4-9-19(13-16)24-22(27)17-7-3-8-18(12-17)23(28)25-20-10-5-11-21(14-20)29-2/h3-14H,1-2H3,(H,24,27)(H,25,28)
InChIKeyVMRZYPGIAUTGDF-UHFFFAOYSA-N
XLogP4.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
3,5-diacetamido-N-(3-methoxyphenyl)benzamide
CID 18104274
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108917
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
CID 4077385

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide (CID 109057624) is 1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide is COc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C(C)=O)c3)c2)c1.
What is the InChIKey of 1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is VMRZYPGIAUTGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-15(26)16-6-4-9-19(13-16)24-22(27)17-7-3-8-18(12-17)23(28)25-20-10-5-11-21(14-20)29-2/h3-14H,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 388.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).