2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide

C21H26N2O4 — CID 4941258

IUPAC2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
SMILESCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(CC)cc1
InChIInChI=1S/C21H26N2O4/c1-3-5-14-26-19-9-7-6-8-18(19)21(25)23-22-20(24)15-27-17-12-10-16(4-2)11-13-17/h6-13H,3-5,14-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOMQAULWGALRTME-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.27
Rot. Bonds9

About 2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide

2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide (PubChem CID 4941258) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
PubChem CID4941258
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
SMILESCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(CC)cc1
InChIInChI=1S/C21H26N2O4/c1-3-5-14-26-19-9-7-6-8-18(19)21(25)23-22-20(24)15-27-17-12-10-16(4-2)11-13-17/h6-13H,3-5,14-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOMQAULWGALRTME-UHFFFAOYSA-N
XLogP3.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.27
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

N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756
2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 4942278
N'-[2-(4-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931603
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide
CID 4942366
2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4942269
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
ethyl 4-[2-[2-[2-(2-methoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17355650
2-pentoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4946811
N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide
CID 4955613
propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17122909
N'-[2-(4-ethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
CID 18225115
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide (CID 4941258) is 2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide is CCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(CC)cc1.
What is the InChIKey of 2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide?
The InChIKey is OMQAULWGALRTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-5-14-26-19-9-7-6-8-18(19)21(25)23-22-20(24)15-27-17-12-10-16(4-2)11-13-17/h6-13H,3-5,14-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide?
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4941258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).