N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide

C21H24N2O3 — CID 4929142

IUPACN'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H24N2O3/c1-5-14-26-18-9-7-6-8-17(18)20(25)23-22-19(24)15-10-12-16(13-11-15)21(2,3)4/h5-13H,1,14H2,2-4H3,(H,22,24)(H,23,25)
InChIKeyCXJSOPCGLUFTLG-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.62
Rot. Bonds5

About N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide

N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide (PubChem CID 4929142) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
PubChem CID4929142
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H24N2O3/c1-5-14-26-18-9-7-6-8-17(18)20(25)23-22-19(24)15-10-12-16(13-11-15)21(2,3)4/h5-13H,1,14H2,2-4H3,(H,22,24)(H,23,25)
InChIKeyCXJSOPCGLUFTLG-UHFFFAOYSA-N
XLogP3.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
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

tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate
CID 137320522
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960
3,5-dichloro-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17133664
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
2,2-dimethyl-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]propanamide
CID 4929555
2-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17122908
N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986
3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
CID 17342922
N'-heptanoyl-2-prop-2-enoxybenzohydrazide
CID 54789258
N'-(cyclopropanecarbonyl)-2-prop-2-enoxybenzohydrazide
CID 4929134
N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4945083

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide (CID 4929142) is N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide is C=CCOc1ccccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide?
The InChIKey is CXJSOPCGLUFTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-5-14-26-18-9-7-6-8-17(18)20(25)23-22-19(24)15-10-12-16(13-11-15)21(2,3)4/h5-13H,1,14H2,2-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide?
N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide has a molecular weight of 352.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 4929142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).