N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide

C15H22N2O4 — CID 17139798

IUPACN'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide
SMILESCCCC(=O)NNC(=O)c1cccc(OCCOCC)c1
InChIInChI=1S/C15H22N2O4/c1-3-6-14(18)16-17-15(19)12-7-5-8-13(11-12)21-10-9-20-4-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWHELKQGALWKPQF-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.66
Rot. Bonds8

About N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide

N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide (PubChem CID 17139798) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide
PubChem CID17139798
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide
SMILESCCCC(=O)NNC(=O)c1cccc(OCCOCC)c1
InChIInChI=1S/C15H22N2O4/c1-3-6-14(18)16-17-15(19)12-7-5-8-13(11-12)21-10-9-20-4-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWHELKQGALWKPQF-UHFFFAOYSA-N
XLogP1.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.66
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

3-(2-ethoxyethoxy)-N'-(3-ethoxypropanoyl)benzohydrazide
CID 17139800
N'-(3-ethoxypropanoyl)-3-propoxybenzohydrazide
CID 17357962
3-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17139694
3-(2-ethoxyethoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17139730
2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17139785
3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17139786
N-[(3-ethoxypropanoylamino)carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 17358062
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide
CID 17139777
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
3-(2-ethoxyethoxy)-N-hexadecylbenzamide
CID 17139521
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482

Frequently Asked Questions

What is the IUPAC name of N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide?
The IUPAC name of N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide (CID 17139798) is N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide?
The canonical SMILES for N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide is CCCC(=O)NNC(=O)c1cccc(OCCOCC)c1.
What is the InChIKey of N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide?
The InChIKey is WHELKQGALWKPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-6-14(18)16-17-15(19)12-7-5-8-13(11-12)21-10-9-20-4-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide?
N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide has a molecular weight of 294.35 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide is sourced from PubChem (CID 17139798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).