3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide

C22H28N2O4 — CID 4956700

IUPAC3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCCCCOc1cccc(C(=O)NNC(=O)COc2ccccc2C(C)C)c1
InChIInChI=1S/C22H28N2O4/c1-4-5-13-27-18-10-8-9-17(14-18)22(26)24-23-21(25)15-28-20-12-7-6-11-19(20)16(2)3/h6-12,14,16H,4-5,13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyJMHSAIQPBUUWOP-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.83
Rot. Bonds9

About 3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide

3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide (PubChem CID 4956700) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
PubChem CID4956700
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCCCCOc1cccc(C(=O)NNC(=O)COc2ccccc2C(C)C)c1
InChIInChI=1S/C22H28N2O4/c1-4-5-13-27-18-10-8-9-17(14-18)22(26)24-23-21(25)15-28-20-12-7-6-11-19(20)16(2)3/h6-12,14,16H,4-5,13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyJMHSAIQPBUUWOP-UHFFFAOYSA-N
XLogP3.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide 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

3-butoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956704
3-hydroxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4879587
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide
CID 8714581
N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide
CID 4960138
3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 4981813
2-(3-methylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 3493807
N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955562
N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757276
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757275
3-(2-ethoxyethoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17139730
N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955139

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide (CID 4956700) is 3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide is CCCCOc1cccc(C(=O)NNC(=O)COc2ccccc2C(C)C)c1.
What is the InChIKey of 3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide?
The InChIKey is JMHSAIQPBUUWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-5-13-27-18-10-8-9-17(14-18)22(26)24-23-21(25)15-28-20-12-7-6-11-19(20)16(2)3/h6-12,14,16H,4-5,13,15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide?
3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4956700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).