N-tert-butyl-N'-propanoylbenzohydrazide

C14H20N2O2 — CID 57065241

IUPACN-tert-butyl-N'-propanoylbenzohydrazide
SMILESCCC(=O)NN(C(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H20N2O2/c1-5-12(17)15-16(14(2,3)4)13(18)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3,(H,15,17)
InChIKeyAIIDXAKPJGAMRD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.37
Rot. Bonds2

About N-tert-butyl-N'-propanoylbenzohydrazide

N-tert-butyl-N'-propanoylbenzohydrazide (PubChem CID 57065241) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-tert-butyl-N'-propanoylbenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-propanoylbenzohydrazide
PubChem CID57065241
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-tert-butyl-N'-propanoylbenzohydrazide
SMILESCCC(=O)NN(C(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H20N2O2/c1-5-12(17)15-16(14(2,3)4)13(18)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3,(H,15,17)
InChIKeyAIIDXAKPJGAMRD-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.37
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

CID 6370700
CID 6370700
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N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
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1-[3-[[benzoyl(tert-butyl)amino]carbamoyl]phenyl]-3-ethylurea
CID 134100555
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N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
CID 23276915
N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
CID 14626566
N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide
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N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
CID 23276721
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CID 15767551

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-propanoylbenzohydrazide?
The IUPAC name of N-tert-butyl-N'-propanoylbenzohydrazide (CID 57065241) is N-tert-butyl-N'-propanoylbenzohydrazide.
What is the SMILES notation for N-tert-butyl-N'-propanoylbenzohydrazide?
The canonical SMILES for N-tert-butyl-N'-propanoylbenzohydrazide is CCC(=O)NN(C(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-propanoylbenzohydrazide?
The InChIKey is AIIDXAKPJGAMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-12(17)15-16(14(2,3)4)13(18)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3,(H,15,17).
What are the key properties of N-tert-butyl-N'-propanoylbenzohydrazide?
N-tert-butyl-N'-propanoylbenzohydrazide has a molecular weight of 248.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-propanoylbenzohydrazide is sourced from PubChem (CID 57065241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).