N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide

C21H26N2O — CID 101142591

IUPACN'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide
SMILESC=CC(C)(C)C(CCc1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-4-21(2,3)19(16-15-17-11-7-5-8-12-17)22-23-20(24)18-13-9-6-10-14-18/h4-14,19,22H,1,15-16H2,2-3H3,(H,23,24)
InChIKeyZUGJLGWIHCVJAA-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.13
Rot. Bonds8

About N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide

N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide (PubChem CID 101142591) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide
PubChem CID101142591
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide
SMILESC=CC(C)(C)C(CCc1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-4-21(2,3)19(16-15-17-11-7-5-8-12-17)22-23-20(24)18-13-9-6-10-14-18/h4-14,19,22H,1,15-16H2,2-3H3,(H,23,24)
InChIKeyZUGJLGWIHCVJAA-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 71671
Benzoic acid, 2-benzoylhydrazide
CID 13085
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m-Toluohydrazide
CID 83082
Benzoic acid, 2-acetylhydrazide
CID 256983
N'-butyl-4-tert-butylbenzohydrazide
CID 117094788
HDAC3 Inhibitor
CID 137700029
1-Benzoyl-2-isopropylhydrazine
CID 18869
Hydrazine, 1-benzoyl-2-phenethyl-
CID 204003
p-Phenylbenzhydrazide
CID 72718
Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide
CID 123513
N'-butyl-4-fluorobenzohydrazide
CID 70438237

Frequently Asked Questions

What is the IUPAC name of N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide?
The IUPAC name of N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide (CID 101142591) is N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide.
What is the SMILES notation for N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide?
The canonical SMILES for N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide is C=CC(C)(C)C(CCc1ccccc1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide?
The InChIKey is ZUGJLGWIHCVJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-4-21(2,3)19(16-15-17-11-7-5-8-12-17)22-23-20(24)18-13-9-6-10-14-18/h4-14,19,22H,1,15-16H2,2-3H3,(H,23,24).
What are the key properties of N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide?
N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide has a molecular weight of 322.45 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide is sourced from PubChem (CID 101142591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).