N-tert-butyl-2-propan-2-ylbenzohydrazide

C14H22N2O — CID 173295055

IUPACN-tert-butyl-2-propan-2-ylbenzohydrazide
SMILESCC(C)c1ccccc1C(=O)N(N)C(C)(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)11-8-6-7-9-12(11)13(17)16(15)14(3,4)5/h6-10H,15H2,1-5H3
InChIKeyBQPCPTCLNVYPPP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.92
Rot. Bonds2

About N-tert-butyl-2-propan-2-ylbenzohydrazide

N-tert-butyl-2-propan-2-ylbenzohydrazide (PubChem CID 173295055) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-tert-butyl-2-propan-2-ylbenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-2-propan-2-ylbenzohydrazide
PubChem CID173295055
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-tert-butyl-2-propan-2-ylbenzohydrazide
SMILESCC(C)c1ccccc1C(=O)N(N)C(C)(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)11-8-6-7-9-12(11)13(17)16(15)14(3,4)5/h6-10H,15H2,1-5H3
InChIKeyBQPCPTCLNVYPPP-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
sodium;2-bromo-N-tert-butylbenzohydrazide;hydride;toluene;hydrate;dihydrochloride
CID 173294130
N-hydroxy-2-propan-2-ylbenzamide
CID 147875920
N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one
CID 177347775
N,2-di(propan-2-yl)benzamide
CID 14972595
(2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide
CID 97050456
(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812
cyclopropyl-(2-propan-2-ylphenyl)methanone
CID 53437883
methyl 2-[1-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]benzoate
CID 70137187
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
1,3-diamino-1-(2-propan-2-ylphenyl)urea
CID 174659276
(2-propan-2-ylphenyl) 2-hydroxybenzoate
CID 22898697

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-propan-2-ylbenzohydrazide?
The IUPAC name of N-tert-butyl-2-propan-2-ylbenzohydrazide (CID 173295055) is N-tert-butyl-2-propan-2-ylbenzohydrazide.
What is the SMILES notation for N-tert-butyl-2-propan-2-ylbenzohydrazide?
The canonical SMILES for N-tert-butyl-2-propan-2-ylbenzohydrazide is CC(C)c1ccccc1C(=O)N(N)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-propan-2-ylbenzohydrazide?
The InChIKey is BQPCPTCLNVYPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)11-8-6-7-9-12(11)13(17)16(15)14(3,4)5/h6-10H,15H2,1-5H3.
What are the key properties of N-tert-butyl-2-propan-2-ylbenzohydrazide?
N-tert-butyl-2-propan-2-ylbenzohydrazide has a molecular weight of 234.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-propan-2-ylbenzohydrazide is sourced from PubChem (CID 173295055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).