N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide

C20H25N3O2 — CID 26184746

IUPACN'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)16-11-9-14(10-12-16)18(24)21-22-19(25)15-7-6-8-17(13-15)23(4)5/h6-13H,1-5H3,(H,21,24)(H,22,25)
InChIKeyVKGVDZJUFSEQGO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.12
Rot. Bonds3

About N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide

N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide (PubChem CID 26184746) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
PubChem CID26184746
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)16-11-9-14(10-12-16)18(24)21-22-19(25)15-7-6-8-17(13-15)23(4)5/h6-13H,1-5H3,(H,21,24)(H,22,25)
InChIKeyVKGVDZJUFSEQGO-UHFFFAOYSA-N
XLogP3.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 26184740
N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide
CID 27605742
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
CID 78779693
N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide
CID 26831201
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
CID 30485788
3-(dimethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390448
3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27606687
3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
CID 35768592
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide
CID 24552605
3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide
CID 30486316
3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 26184762

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide?
The IUPAC name of N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide (CID 26184746) is N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide.
What is the SMILES notation for N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide?
The canonical SMILES for N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide is CN(C)c1cccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide?
The InChIKey is VKGVDZJUFSEQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(2,3)16-11-9-14(10-12-16)18(24)21-22-19(25)15-7-6-8-17(13-15)23(4)5/h6-13H,1-5H3,(H,21,24)(H,22,25).
What are the key properties of N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide?
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide has a molecular weight of 339.44 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide is sourced from PubChem (CID 26184746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).