3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide

C24H24N2O3 — CID 109056925

IUPAC3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)c1
InChIInChI=1S/C24H24N2O3/c1-16(2)29-22-12-10-20(11-13-22)25-23(27)18-7-5-8-19(15-18)24(28)26-21-9-4-6-17(3)14-21/h4-16H,1-3H3,(H,25,27)(H,26,28)
InChIKeyBTOKIUSEEYQWIN-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.29
Rot. Bonds6

About 3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide

3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109056925) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109056925
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)c1
InChIInChI=1S/C24H24N2O3/c1-16(2)29-22-12-10-20(11-13-22)25-23(27)18-7-5-8-19(15-18)24(28)26-21-9-4-6-17(3)14-21/h4-16H,1-3H3,(H,25,27)(H,26,28)
InChIKeyBTOKIUSEEYQWIN-UHFFFAOYSA-N
XLogP5.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999065
3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877477
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17252287
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877483
3-methyl-N-[4-[[(4-propan-2-yloxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide
CID 4952353
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108987363

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide (CID 109056925) is 3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide is Cc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)c1.
What is the InChIKey of 3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is BTOKIUSEEYQWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16(2)29-22-12-10-20(11-13-22)25-23(27)18-7-5-8-19(15-18)24(28)26-21-9-4-6-17(3)14-21/h4-16H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).