3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide

C21H24N2O5 — CID 17139786

IUPAC3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2cccc(OCCOCC)c2)cc1
InChIInChI=1S/C21H24N2O5/c1-3-12-27-18-10-8-16(9-11-18)20(24)22-23-21(25)17-6-5-7-19(15-17)28-14-13-26-4-2/h3,5-11,15H,1,4,12-14H2,2H3,(H,22,24)(H,23,25)
InChIKeyHUCKBSNYKMVCRX-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.74
Rot. Bonds10

About 3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide

3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide (PubChem CID 17139786) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
PubChem CID17139786
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2cccc(OCCOCC)c2)cc1
InChIInChI=1S/C21H24N2O5/c1-3-12-27-18-10-8-16(9-11-18)20(24)22-23-21(25)17-6-5-7-19(15-17)28-14-13-26-4-2/h3,5-11,15H,1,4,12-14H2,2H3,(H,22,24)(H,23,25)
InChIKeyHUCKBSNYKMVCRX-UHFFFAOYSA-N
XLogP2.74
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4955159
2-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17122908
3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17149945
3-(2-ethoxyethoxy)-N'-(3-ethoxypropanoyl)benzohydrazide
CID 17139800
3-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17139694
N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide
CID 17139798
N'-[4-(2-ethoxyethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17112731
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4926011
2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17139785
4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17112795
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The IUPAC name of 3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide (CID 17139786) is 3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The canonical SMILES for 3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide is C=CCOc1ccc(C(=O)NNC(=O)c2cccc(OCCOCC)c2)cc1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The InChIKey is HUCKBSNYKMVCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-12-27-18-10-8-16(9-11-18)20(24)22-23-21(25)17-6-5-7-19(15-17)28-14-13-26-4-2/h3,5-11,15H,1,4,12-14H2,2H3,(H,22,24)(H,23,25).
What are the key properties of 3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide has a molecular weight of 384.43 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide is sourced from PubChem (CID 17139786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).