N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide

C21H26N2O3 — CID 17177578

IUPACN'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-14(2)13-26-19-11-9-18(10-12-19)21(25)23-22-20(24)17-7-5-16(6-8-17)15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyUVASMNUBNZWIAK-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.92
Rot. Bonds6

About N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide

N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide (PubChem CID 17177578) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
PubChem CID17177578
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-14(2)13-26-19-11-9-18(10-12-19)21(25)23-22-20(24)17-7-5-16(6-8-17)15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyUVASMNUBNZWIAK-UHFFFAOYSA-N
XLogP3.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide 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

4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930070
N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
CID 17141455
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435
4-(2-methylpropoxy)-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide
CID 54782195
2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide
CID 4930344
4-(2-phenoxyethoxy)-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4952843
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide?
The IUPAC name of N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide (CID 17177578) is N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide.
What is the SMILES notation for N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide?
The canonical SMILES for N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide is CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide?
The InChIKey is UVASMNUBNZWIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)13-26-19-11-9-18(10-12-19)21(25)23-22-20(24)17-7-5-16(6-8-17)15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide?
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide has a molecular weight of 354.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide is sourced from PubChem (CID 17177578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).