N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide

C14H16N2O2 — CID 88511289

IUPACN'-tert-butyl-N'-prop-2-ynoylbenzohydrazide
SMILESC#CC(=O)N(NC(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H16N2O2/c1-5-12(17)16(14(2,3)4)15-13(18)11-9-7-6-8-10-11/h1,6-10H,2-4H3,(H,15,18)
InChIKeyVUXBJUMXXJGPJM-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.59
Rot. Bonds1

About N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide

N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide (PubChem CID 88511289) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-prop-2-ynoylbenzohydrazide
PubChem CID88511289
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN'-tert-butyl-N'-prop-2-ynoylbenzohydrazide
SMILESC#CC(=O)N(NC(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H16N2O2/c1-5-12(17)16(14(2,3)4)15-13(18)11-9-7-6-8-10-11/h1,6-10H,2-4H3,(H,15,18)
InChIKeyVUXBJUMXXJGPJM-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
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N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide
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N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide
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N'-tert-butyl-N'-undecanoylbenzohydrazide
CID 67922028
N'-tert-butyl-N'-decanoylbenzohydrazide
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N',N'-dibenzamidobenzohydrazide
CID 91211036
N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide
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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide?
The IUPAC name of N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide (CID 88511289) is N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide is C#CC(=O)N(NC(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide?
The InChIKey is VUXBJUMXXJGPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-5-12(17)16(14(2,3)4)15-13(18)11-9-7-6-8-10-11/h1,6-10H,2-4H3,(H,15,18).
What are the key properties of N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide?
N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide has a molecular weight of 244.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide is sourced from PubChem (CID 88511289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).