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

C24H24N2O3 — CID 109046741

IUPAC1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-17(2)29-22-14-12-21(13-15-22)26-24(28)20-10-8-19(9-11-20)23(27)25-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyWORIVEVYNPGCDF-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.66
Rot. Bonds7

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

1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109046741) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109046741
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-17(2)29-22-14-12-21(13-15-22)26-24(28)20-10-8-19(9-11-20)23(27)25-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyWORIVEVYNPGCDF-UHFFFAOYSA-N
XLogP4.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4252954
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate
CID 2792535
N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822226
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
N-benzyl-4-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43887414
5-(phenoxymethyl)-N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332642

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide (CID 109046741) is 1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide is CC(C)Oc1ccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is WORIVEVYNPGCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17(2)29-22-14-12-21(13-15-22)26-24(28)20-10-8-19(9-11-20)23(27)25-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).