1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide

C27H27N3O4 — CID 164543941

IUPAC1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide
SMILESO=C(NO)c1ccc(NC(=O)C2(C(=O)Nc3ccccc3)CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C27H27N3O4/c31-24(30-34)22-15-14-21(18-23(22)19-10-4-1-5-11-19)29-26(33)27(16-8-3-9-17-27)25(32)28-20-12-6-2-7-13-20/h1-2,4-7,10-15,18,34H,3,8-9,16-17H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyQQUXBFZJRZUEBK-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.00
Rot. Bonds6

About 1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide

1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide (PubChem CID 164543941) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide
PubChem CID164543941
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide
SMILESO=C(NO)c1ccc(NC(=O)C2(C(=O)Nc3ccccc3)CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C27H27N3O4/c31-24(30-34)22-15-14-21(18-23(22)19-10-4-1-5-11-19)29-26(33)27(16-8-3-9-17-27)25(32)28-20-12-6-2-7-13-20/h1-2,4-7,10-15,18,34H,3,8-9,16-17H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyQQUXBFZJRZUEBK-UHFFFAOYSA-N
XLogP5.00
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide
CID 171408668
1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide
CID 164543902
1-(N'-hydroxycarbamimidoyl)-N-phenylcyclohexane-1-carboxamide
CID 76919909
1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
N-hydroxy-2-(2-phenylphenyl)benzamide
CID 58121046
4-methoxy-N,2-diphenylbenzamide
CID 156739257
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
2-phenyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 31812149
1-[(E)-N'-hydroxycarbamimidoyl]-N-phenylcyclobutane-1-carboxamide
CID 80590428
1-N-(4-bromophenyl)-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982934
2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812906
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide (CID 164543941) is 1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide is O=C(NO)c1ccc(NC(=O)C2(C(=O)Nc3ccccc3)CCCCC2)cc1-c1ccccc1.
What is the InChIKey of 1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide?
The InChIKey is QQUXBFZJRZUEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c31-24(30-34)22-15-14-21(18-23(22)19-10-4-1-5-11-19)29-26(33)27(16-8-3-9-17-27)25(32)28-20-12-6-2-7-13-20/h1-2,4-7,10-15,18,34H,3,8-9,16-17H2,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of 1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide?
1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide has a molecular weight of 457.53 g/mol, XLogP of 5.00, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[4-(hydroxycarbamoyl)-3-phenylphenyl]-1-N-phenylcyclohexane-1,1-dicarboxamide is sourced from PubChem (CID 164543941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).