4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide

C17H28N2O — CID 163788626

IUPAC4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide
SMILESCC(C)NN(C(=O)c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C17H28N2O/c1-12(2)18-19(13(3)4)16(20)14-8-10-15(11-9-14)17(5,6)7/h8-13,18H,1-7H3
InChIKeyMUTCQONFAFYCSQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.75
Rot. Bonds4

About 4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide

4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide (PubChem CID 163788626) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide
PubChem CID163788626
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide
SMILESCC(C)NN(C(=O)c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C17H28N2O/c1-12(2)18-19(13(3)4)16(20)14-8-10-15(11-9-14)17(5,6)7/h8-13,18H,1-7H3
InChIKeyMUTCQONFAFYCSQ-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.75
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-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide
CID 43319284
1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one
CID 82100647
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N,4-ditert-butyl-N'-chlorobenzohydrazide
CID 57155431
CID 157428380
CID 157428380
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914606
4-tert-butyl-N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 2392296
N-(4-aminopentyl)-4-tert-butylbenzamide
CID 106122499
2-bromo-1-(4-tert-butylphenyl)propan-1-one
CID 43144127
3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
CID 55105588

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide?
The IUPAC name of 4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide (CID 163788626) is 4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide?
The canonical SMILES for 4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide is CC(C)NN(C(=O)c1ccc(C(C)(C)C)cc1)C(C)C.
What is the InChIKey of 4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide?
The InChIKey is MUTCQONFAFYCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)18-19(13(3)4)16(20)14-8-10-15(11-9-14)17(5,6)7/h8-13,18H,1-7H3.
What are the key properties of 4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide?
4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide has a molecular weight of 276.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide is sourced from PubChem (CID 163788626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).