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

C25H24N2O5 — CID 4955159

IUPAC3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C25H24N2O5/c1-2-15-30-22-13-11-19(12-14-22)24(28)26-27-25(29)20-7-6-10-23(18-20)32-17-16-31-21-8-4-3-5-9-21/h2-14,18H,1,15-17H2,(H,26,28)(H,27,29)
InChIKeyXBJQZYGFCYGUKD-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.78
Rot. Bonds10

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

3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide (PubChem CID 4955159) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
PubChem CID4955159
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C25H24N2O5/c1-2-15-30-22-13-11-19(12-14-22)24(28)26-27-25(29)20-7-6-10-23(18-20)32-17-16-31-21-8-4-3-5-9-21/h2-14,18H,1,15-17H2,(H,26,28)(H,27,29)
InChIKeyXBJQZYGFCYGUKD-UHFFFAOYSA-N
XLogP3.78
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.78
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-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17139786
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4926011
3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17149945
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852
N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955139
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955441
N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134546
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
N'-[4-(2-methoxyethoxy)benzoyl]-3-methylbenzohydrazide
CID 17353579

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The IUPAC name of 3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide (CID 4955159) is 3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide.
What is the SMILES notation for 3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The canonical SMILES for 3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide is C=CCOc1ccc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1.
What is the InChIKey of 3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The InChIKey is XBJQZYGFCYGUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-2-15-30-22-13-11-19(12-14-22)24(28)26-27-25(29)20-7-6-10-23(18-20)32-17-16-31-21-8-4-3-5-9-21/h2-14,18H,1,15-17H2,(H,26,28)(H,27,29).
What are the key properties of 3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide has a molecular weight of 432.48 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide is sourced from PubChem (CID 4955159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).