N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide

C20H23N3O4 — CID 139683569

IUPACN'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide
SMILESCc1cccc(C(=O)NN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C)c1C
InChIInChI=1S/C20H23N3O4/c1-13-9-8-11-15(14(13)2)18(24)21-22(20(3,4)5)19(25)16-10-6-7-12-17(16)23(26)27/h6-12H,1-5H3,(H,21,24)
InChIKeyYZFSQVGUOUAOON-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.80
Rot. Bonds3

About N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide

N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide (PubChem CID 139683569) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide
PubChem CID139683569
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide
SMILESCc1cccc(C(=O)NN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C)c1C
InChIInChI=1S/C20H23N3O4/c1-13-9-8-11-15(14(13)2)18(24)21-22(20(3,4)5)19(25)16-10-6-7-12-17(16)23(26)27/h6-12H,1-5H3,(H,21,24)
InChIKeyYZFSQVGUOUAOON-UHFFFAOYSA-N
XLogP3.80
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide
CID 14626553
N-tert-butyl-N'-(2-fluorobenzoyl)-2-nitrobenzohydrazide;trihydrochloride
CID 70295139
N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide
CID 101234458
N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide
CID 57243367
N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide
CID 18961985
N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide
CID 70427389
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide
CID 70427775
N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide
CID 67921998
N-tert-butyl-N'-(5-chloro-2-nitrobenzoyl)-2-methylpyridine-3-carbohydrazide
CID 163422962
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
N'-tert-butyl-3-methoxy-2-methyl-N'-[3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]benzohydrazide
CID 140707543
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide?
The IUPAC name of N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide (CID 139683569) is N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide?
The canonical SMILES for N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide is Cc1cccc(C(=O)NN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C)c1C.
What is the InChIKey of N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide?
The InChIKey is YZFSQVGUOUAOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-9-8-11-15(14(13)2)18(24)21-22(20(3,4)5)19(25)16-10-6-7-12-17(16)23(26)27/h6-12H,1-5H3,(H,21,24).
What are the key properties of N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide?
N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide has a molecular weight of 369.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 139683569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).