(1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide

C21H30N2O2 — CID 88511224

IUPAC(1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide
SMILESCc1cccc(C(=O)N(NC(=O)/C2=C/CCCCCC2)C(C)(C)C)c1
InChIInChI=1S/C21H30N2O2/c1-16-11-10-14-18(15-16)20(25)23(21(2,3)4)22-19(24)17-12-8-6-5-7-9-13-17/h10-12,14-15H,5-9,13H2,1-4H3,(H,22,24)/b17-12+
InChIKeyWGTGAQUHUOWNJT-SFQUDFHCSA-N
MW342.48 g/mol
LogP4.55
Rot. Bonds2

About (1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide

(1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide (PubChem CID 88511224) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide.

Molecular Properties

Compound Name(1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide
PubChem CID88511224
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide
SMILESCc1cccc(C(=O)N(NC(=O)/C2=C/CCCCCC2)C(C)(C)C)c1
InChIInChI=1S/C21H30N2O2/c1-16-11-10-14-18(15-16)20(25)23(21(2,3)4)22-19(24)17-12-8-6-5-7-9-13-17/h10-12,14-15H,5-9,13H2,1-4H3,(H,22,24)/b17-12+
InChIKeyWGTGAQUHUOWNJT-SFQUDFHCSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 70427413
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 70427497
N'-tert-butyl-N'-(3-methylbenzoyl)-2H-triazole-4-carbohydrazide
CID 15452007
cyclopenten-1-yl-(3-methylphenyl)methanone
CID 62080308
N-tert-butyl-3-methyl-N'-pent-3-ynoylbenzohydrazide
CID 67921840
3-bromo-N-tert-butyl-N'-(3-methylbenzoyl)thiophene-2-carbohydrazide
CID 67899302
N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide
CID 42600481
N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 70427476
N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide
CID 67921953
1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
CID 130677283

Frequently Asked Questions

What is the IUPAC name of (1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide?
The IUPAC name of (1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide (CID 88511224) is (1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide.
What is the SMILES notation for (1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide?
The canonical SMILES for (1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide is Cc1cccc(C(=O)N(NC(=O)/C2=C/CCCCCC2)C(C)(C)C)c1.
What is the InChIKey of (1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide?
The InChIKey is WGTGAQUHUOWNJT-SFQUDFHCSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-11-10-14-18(15-16)20(25)23(21(2,3)4)22-19(24)17-12-8-6-5-7-9-13-17/h10-12,14-15H,5-9,13H2,1-4H3,(H,22,24)/b17-12+.
What are the key properties of (1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide?
(1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide has a molecular weight of 342.48 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide is sourced from PubChem (CID 88511224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).