N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide

C16H22N2O3 — CID 67922068

IUPACN'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide
SMILESC/C=C/C(=O)NN(C(=O)c1ccccc1OC)C(C)(C)C
InChIInChI=1S/C16H22N2O3/c1-6-9-14(19)17-18(16(2,3)4)15(20)12-10-7-8-11-13(12)21-5/h6-11H,1-5H3,(H,17,19)/b9-6+
InChIKeyQCKSECJIKBUFBF-RMKNXTFCSA-N
MW290.36 g/mol
LogP2.54
Rot. Bonds3

About N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide

N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide (PubChem CID 67922068) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide
PubChem CID67922068
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide
SMILESC/C=C/C(=O)NN(C(=O)c1ccccc1OC)C(C)(C)C
InChIInChI=1S/C16H22N2O3/c1-6-9-14(19)17-18(16(2,3)4)15(20)12-10-7-8-11-13(12)21-5/h6-11H,1-5H3,(H,17,19)/b9-6+
InChIKeyQCKSECJIKBUFBF-RMKNXTFCSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide 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'-acetyl-N-tert-butyl-2-methoxybenzohydrazide
CID 67921811
N'-but-2-enoyl-N-tert-butylbenzohydrazide
CID 67921810
N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
CID 23164410
N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide
CID 134102578
(Z)-but-2-ene;2-methoxy-N-methylbenzamide
CID 144547446
tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate
CID 178112451
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,3-dimethoxybenzohydrazide
CID 101134353
N'-tert-butyl-N'-(3,4-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide
CID 22400604
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
N-[4-(2-methoxyphenoxy)but-2-ynyl]but-2-enamide
CID 91939404
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide?
The IUPAC name of N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide (CID 67922068) is N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide.
What is the SMILES notation for N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide?
The canonical SMILES for N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide is C/C=C/C(=O)NN(C(=O)c1ccccc1OC)C(C)(C)C.
What is the InChIKey of N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide?
The InChIKey is QCKSECJIKBUFBF-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-6-9-14(19)17-18(16(2,3)4)15(20)12-10-7-8-11-13(12)21-5/h6-11H,1-5H3,(H,17,19)/b9-6+.
What are the key properties of N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide?
N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide has a molecular weight of 290.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide is sourced from PubChem (CID 67922068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).