N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide

C28H32N4O — CID 15468085

IUPACN'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide
SMILESO=C(NNC1CCCC1CCC/C=N/N(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N4O/c33-28(24-14-4-1-5-15-24)31-30-27-21-12-16-23(27)13-10-11-22-29-32(25-17-6-2-7-18-25)26-19-8-3-9-20-26/h1-9,14-15,17-20,22-23,27,30H,10-13,16,21H2,(H,31,33)/b29-22+
InChIKeyBWYDYJCXJYPVQB-QUPMIFSKSA-N
MW440.59 g/mol
LogP6.08
Rot. Bonds10

About N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide

N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide (PubChem CID 15468085) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide
PubChem CID15468085
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC NameN'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide
SMILESO=C(NNC1CCCC1CCC/C=N/N(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N4O/c33-28(24-14-4-1-5-15-24)31-30-27-21-12-16-23(27)13-10-11-22-29-32(25-17-6-2-7-18-25)26-19-8-3-9-20-26/h1-9,14-15,17-20,22-23,27,30H,10-13,16,21H2,(H,31,33)/b29-22+
InChIKeyBWYDYJCXJYPVQB-QUPMIFSKSA-N
XLogP6.08
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide
CID 85242696
N'-[(1R,2S)-2-phenylcyclohexyl]benzohydrazide
CID 125468545
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide
CID 10743681
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N'-[(1R,2S)-2-benzylcyclopentyl]acetohydrazide
CID 125464208
N'-(4-cyclohexylbutanoyl)benzohydrazide
CID 9414897
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide
CID 125464130
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N'-(2-hydroxycyclopentanecarbonyl)benzohydrazide
CID 110013610

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide?
The IUPAC name of N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide (CID 15468085) is N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide.
What is the SMILES notation for N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide?
The canonical SMILES for N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide is O=C(NNC1CCCC1CCC/C=N/N(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide?
The InChIKey is BWYDYJCXJYPVQB-QUPMIFSKSA-N. The full InChI is InChI=1S/C28H32N4O/c33-28(24-14-4-1-5-15-24)31-30-27-21-12-16-23(27)13-10-11-22-29-32(25-17-6-2-7-18-25)26-19-8-3-9-20-26/h1-9,14-15,17-20,22-23,27,30H,10-13,16,21H2,(H,31,33)/b29-22+.
What are the key properties of N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide?
N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide has a molecular weight of 440.59 g/mol, XLogP of 6.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide is sourced from PubChem (CID 15468085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).