4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide

C21H26N2O4 — CID 4936299

IUPAC4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H26N2O4/c1-4-5-10-26-18-8-6-17(7-9-18)21(25)23-22-20(24)14-27-19-12-15(2)11-16(3)13-19/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYKYLDWVEXJXEIG-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.32
Rot. Bonds8

About 4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide

4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide (PubChem CID 4936299) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
PubChem CID4936299
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H26N2O4/c1-4-5-10-26-18-8-6-17(7-9-18)21(25)23-22-20(24)14-27-19-12-15(2)11-16(3)13-19/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYKYLDWVEXJXEIG-UHFFFAOYSA-N
XLogP3.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.32
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'}

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Related Compounds

4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930780
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide
CID 4935351
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide
CID 4950737
N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-ethoxybenzamide
CID 4949126
N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
CID 30483036
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930820
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353571
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide (CID 4936299) is 4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide?
The InChIKey is YKYLDWVEXJXEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-5-10-26-18-8-6-17(7-9-18)21(25)23-22-20(24)14-27-19-12-15(2)11-16(3)13-19/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide?
4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4936299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).