N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide

C22H27N3O4 — CID 57243367

IUPACN-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide
SMILESCC(C)Cc1ccc(C(=O)NN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C)cc1
InChIInChI=1S/C22H27N3O4/c1-15(2)14-16-10-12-17(13-11-16)20(26)23-24(22(3,4)5)21(27)18-8-6-7-9-19(18)25(28)29/h6-13,15H,14H2,1-5H3,(H,23,26)
InChIKeyWLBFQWDFHYIMHT-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.38
Rot. Bonds5

About N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide

N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide (PubChem CID 57243367) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide
PubChem CID57243367
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide
SMILESCC(C)Cc1ccc(C(=O)NN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C)cc1
InChIInChI=1S/C22H27N3O4/c1-15(2)14-16-10-12-17(13-11-16)20(26)23-24(22(3,4)5)21(27)18-8-6-7-9-19(18)25(28)29/h6-13,15H,14H2,1-5H3,(H,23,26)
InChIKeyWLBFQWDFHYIMHT-UHFFFAOYSA-N
XLogP4.38
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.38
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-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide
CID 139683569
N-butyl-N'-(4-tert-butylbenzoyl)-2-nitrobenzohydrazide
CID 67935756
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N-(3-hydroxy-4,4-dimethylpentyl)-2-nitrobenzamide
CID 90523368
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 5189865
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-nitrobenzoate
CID 7464180
N-(3,3-dimethyl-2-oxobutyl)-2-nitrobenzamide
CID 64991410
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide
CID 51186743
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide
CID 16889417

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide?
The IUPAC name of N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide (CID 57243367) is N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide.
What is the SMILES notation for N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide?
The canonical SMILES for N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide is CC(C)Cc1ccc(C(=O)NN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide?
The InChIKey is WLBFQWDFHYIMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15(2)14-16-10-12-17(13-11-16)20(26)23-24(22(3,4)5)21(27)18-8-6-7-9-19(18)25(28)29/h6-13,15H,14H2,1-5H3,(H,23,26).
What are the key properties of N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide?
N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide has a molecular weight of 397.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide is sourced from PubChem (CID 57243367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).