N'-but-2-enoyl-N-tert-butylbenzohydrazide

C15H20N2O2 — CID 67921810

IUPACN'-but-2-enoyl-N-tert-butylbenzohydrazide
SMILESCC=CC(=O)NN(C(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H20N2O2/c1-5-9-13(18)16-17(15(2,3)4)14(19)12-10-7-6-8-11-12/h5-11H,1-4H3,(H,16,18)
InChIKeyOWESGSVPSHPZMS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.53
Rot. Bonds2

About N'-but-2-enoyl-N-tert-butylbenzohydrazide

N'-but-2-enoyl-N-tert-butylbenzohydrazide (PubChem CID 67921810) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N'-but-2-enoyl-N-tert-butylbenzohydrazide.

Molecular Properties

Compound NameN'-but-2-enoyl-N-tert-butylbenzohydrazide
PubChem CID67921810
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN'-but-2-enoyl-N-tert-butylbenzohydrazide
SMILESCC=CC(=O)NN(C(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H20N2O2/c1-5-9-13(18)16-17(15(2,3)4)14(19)12-10-7-6-8-11-12/h5-11H,1-4H3,(H,16,18)
InChIKeyOWESGSVPSHPZMS-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.53
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'}

Analyze N'-but-2-enoyl-N-tert-butylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide
CID 67922068
N-tert-butyl-N'-propanoylbenzohydrazide
CID 57065241
N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide
CID 139719107
N-[(E)-but-2-enoyl]-N-tert-butylbenzamide
CID 177468892
N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
CID 23164410
N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116
CID 6370700
CID 6370700
N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
CID 23276915
1-[benzoyl(tert-butyl)amino]-3-(2,3-dichlorophenyl)urea
CID 134112185
N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
CID 14626566
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea
CID 134114934

Frequently Asked Questions

What is the IUPAC name of N'-but-2-enoyl-N-tert-butylbenzohydrazide?
The IUPAC name of N'-but-2-enoyl-N-tert-butylbenzohydrazide (CID 67921810) is N'-but-2-enoyl-N-tert-butylbenzohydrazide.
What is the SMILES notation for N'-but-2-enoyl-N-tert-butylbenzohydrazide?
The canonical SMILES for N'-but-2-enoyl-N-tert-butylbenzohydrazide is CC=CC(=O)NN(C(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of N'-but-2-enoyl-N-tert-butylbenzohydrazide?
The InChIKey is OWESGSVPSHPZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-9-13(18)16-17(15(2,3)4)14(19)12-10-7-6-8-11-12/h5-11H,1-4H3,(H,16,18).
What are the key properties of N'-but-2-enoyl-N-tert-butylbenzohydrazide?
N'-but-2-enoyl-N-tert-butylbenzohydrazide has a molecular weight of 260.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-2-enoyl-N-tert-butylbenzohydrazide is sourced from PubChem (CID 67921810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).