4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide

C18H22N2O — CID 9479496

IUPAC4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide
SMILESCN(NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)15-12-10-14(11-13-15)17(21)19-20(4)16-8-6-5-7-9-16/h5-13H,1-4H3,(H,19,21)
InChIKeyIDNOJFCKHRFQHC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.77
Rot. Bonds3

About 4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide

4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide (PubChem CID 9479496) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide
PubChem CID9479496
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide
SMILESCN(NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)15-12-10-14(11-13-15)17(21)19-20(4)16-8-6-5-7-9-16/h5-13H,1-4H3,(H,19,21)
InChIKeyIDNOJFCKHRFQHC-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide
CID 9479963
3,5-difluoro-N'-methyl-N'-phenylbenzohydrazide
CID 9479852
4-tert-butyl-N-[methyl(phenyl)carbamothioyl]benzamide
CID 974411
N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9480193
N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9479606
4-[(N-phenylanilino)carbamoyl]benzoic acid
CID 154425336
N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide
CID 18121150
4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
CID 110287677
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
N',N'-dibenzamidobenzohydrazide
CID 91211036
N',N'-dimethylbenzohydrazide;hydrochloride
CID 131848151

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide?
The IUPAC name of 4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide (CID 9479496) is 4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide is CN(NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide?
The InChIKey is IDNOJFCKHRFQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,3)15-12-10-14(11-13-15)17(21)19-20(4)16-8-6-5-7-9-16/h5-13H,1-4H3,(H,19,21).
What are the key properties of 4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide?
4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide has a molecular weight of 282.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide is sourced from PubChem (CID 9479496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).