1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide

C22H20N2O4 — CID 20615921

IUPAC1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide
SMILESO=C(c1ccc(C(=O)N(O)Cc2ccccc2)cc1)N(O)Cc1ccccc1
InChIInChI=1S/C22H20N2O4/c25-21(23(27)15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)22(26)24(28)16-18-9-5-2-6-10-18/h1-14,27-28H,15-16H2
InChIKeyFLYPRHWGYZGOND-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.75
Rot. Bonds6

About 1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide

1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide (PubChem CID 20615921) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide
PubChem CID20615921
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide
SMILESO=C(c1ccc(C(=O)N(O)Cc2ccccc2)cc1)N(O)Cc1ccccc1
InChIInChI=1S/C22H20N2O4/c25-21(23(27)15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)22(26)24(28)16-18-9-5-2-6-10-18/h1-14,27-28H,15-16H2
InChIKeyFLYPRHWGYZGOND-UHFFFAOYSA-N
XLogP3.75
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide
CID 177290710
2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 25256224
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
N-benzyl-N-hydroxy-2-phenylacetamide
CID 10933642
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
N,N-dibenzyl-4-[2-(hydroxyamino)-2-oxoethyl]benzamide
CID 71519573

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide (CID 20615921) is 1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide is O=C(c1ccc(C(=O)N(O)Cc2ccccc2)cc1)N(O)Cc1ccccc1.
What is the InChIKey of 1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide?
The InChIKey is FLYPRHWGYZGOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21(23(27)15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)22(26)24(28)16-18-9-5-2-6-10-18/h1-14,27-28H,15-16H2.
What are the key properties of 1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide?
1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 20615921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).