N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide

C22H26N2O3 — CID 70427476

IUPACN-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
SMILESC=CCOc1ccc(C(=O)NN(C(=O)c2cccc(C)c2)C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O3/c1-6-14-27-19-12-10-17(11-13-19)20(25)23-24(22(3,4)5)21(26)18-9-7-8-16(2)15-18/h6-13,15H,1,14H2,2-5H3,(H,23,25)
InChIKeyYPJYOWPMORGLHN-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.15
Rot. Bonds5

About N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide

N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide (PubChem CID 70427476) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
PubChem CID70427476
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
SMILESC=CCOc1ccc(C(=O)NN(C(=O)c2cccc(C)c2)C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O3/c1-6-14-27-19-12-10-17(11-13-19)20(25)23-24(22(3,4)5)21(26)18-9-7-8-16(2)15-18/h6-13,15H,1,14H2,2-5H3,(H,23,25)
InChIKeyYPJYOWPMORGLHN-UHFFFAOYSA-N
XLogP4.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 70427413
N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 70427497
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
[4-[[tert-butyl-(3,5-dimethylbenzoyl)amino]carbamoyl]phenyl] acetate
CID 19367923
N-tert-butyl-3-ethenyl-N'-(4-ethylbenzoyl)benzohydrazide;trihydrochloride
CID 70294631
[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 3526997
N'-tert-butyl-N'-(3-methylbenzoyl)-2H-triazole-4-carbohydrazide
CID 15452007
N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
CID 23276721
N-tert-butyl-3-methyl-N'-pent-3-ynoylbenzohydrazide
CID 67921840
N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide
CID 4928818
2,2-dimethyl-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 81367554

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The IUPAC name of N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide (CID 70427476) is N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide.
What is the SMILES notation for N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The canonical SMILES for N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide is C=CCOc1ccc(C(=O)NN(C(=O)c2cccc(C)c2)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The InChIKey is YPJYOWPMORGLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-6-14-27-19-12-10-17(11-13-19)20(25)23-24(22(3,4)5)21(26)18-9-7-8-16(2)15-18/h6-13,15H,1,14H2,2-5H3,(H,23,25).
What are the key properties of N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide has a molecular weight of 366.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide is sourced from PubChem (CID 70427476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).