N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide

C17H24N2O2 — CID 67921998

IUPACN-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide
SMILESC=C(C)C(=O)NN(C(=O)c1cccc(C)c1C)C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-11(2)15(20)18-19(17(5,6)7)16(21)14-10-8-9-12(3)13(14)4/h8-10H,1H2,2-7H3,(H,18,20)
InChIKeyDKMIIGBYTRJKNP-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.15
Rot. Bonds2

About N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide

N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide (PubChem CID 67921998) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide
PubChem CID67921998
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide
SMILESC=C(C)C(=O)NN(C(=O)c1cccc(C)c1C)C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-11(2)15(20)18-19(17(5,6)7)16(21)14-10-8-9-12(3)13(14)4/h8-10H,1H2,2-7H3,(H,18,20)
InChIKeyDKMIIGBYTRJKNP-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide
CID 70427389
N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide
CID 18961985
N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide
CID 139683569
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide
CID 70427775
3-[tert-butyl-(2,3-dimethylbenzoyl)amino]propanoic acid
CID 60826033
N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide
CID 115594477
ethane;N,2,3-trimethylbenzamide
CID 178108869
2,3-dimethylbenzohydrazide
CID 16790549
3-[(2,3-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172550
N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide
CID 67921811
N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine
CID 143797983
N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide?
The IUPAC name of N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide (CID 67921998) is N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide.
What is the SMILES notation for N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide?
The canonical SMILES for N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide is C=C(C)C(=O)NN(C(=O)c1cccc(C)c1C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide?
The InChIKey is DKMIIGBYTRJKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)15(20)18-19(17(5,6)7)16(21)14-10-8-9-12(3)13(14)4/h8-10H,1H2,2-7H3,(H,18,20).
What are the key properties of N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide?
N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide has a molecular weight of 288.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide is sourced from PubChem (CID 67921998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).