N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide

C19H26N2O2 — CID 67921953

IUPACN-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide
SMILESCCCC#CCC(=O)NN(C(=O)c1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C19H26N2O2/c1-6-7-8-9-13-17(22)20-21(19(3,4)5)18(23)16-12-10-11-15(2)14-16/h10-12,14H,6-7,13H2,1-5H3,(H,20,22)
InChIKeyCWVUIJSJZUIIQY-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.46
Rot. Bonds3

About N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide

N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide (PubChem CID 67921953) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide
PubChem CID67921953
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide
SMILESCCCC#CCC(=O)NN(C(=O)c1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C19H26N2O2/c1-6-7-8-9-13-17(22)20-21(19(3,4)5)18(23)16-12-10-11-15(2)14-16/h10-12,14H,6-7,13H2,1-5H3,(H,20,22)
InChIKeyCWVUIJSJZUIIQY-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.46
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

N-tert-butyl-3-methyl-N'-pent-3-ynoylbenzohydrazide
CID 67921840
N-tert-butyl-3-fluoro-N'-non-5-ynoylbenzohydrazide
CID 67921828
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 70427413
N'-tert-butyl-N'-(3-methylbenzoyl)-2H-triazole-4-carbohydrazide
CID 15452007
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 70427476
N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 70427497
(1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide
CID 88511224
N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide
CID 57220641
N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide
CID 67921776
N-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 67935788

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide?
The IUPAC name of N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide (CID 67921953) is N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide.
What is the SMILES notation for N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide?
The canonical SMILES for N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide is CCCC#CCC(=O)NN(C(=O)c1cccc(C)c1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide?
The InChIKey is CWVUIJSJZUIIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-6-7-8-9-13-17(22)20-21(19(3,4)5)18(23)16-12-10-11-15(2)14-16/h10-12,14H,6-7,13H2,1-5H3,(H,20,22).
What are the key properties of N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide?
N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide has a molecular weight of 314.43 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-hept-3-ynoyl-3-methylbenzohydrazide is sourced from PubChem (CID 67921953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).