3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide

C21H24N2O4 — CID 17149945

IUPAC3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C21H24N2O4/c1-4-13-26-18-11-9-16(10-12-18)20(24)22-23-21(25)17-7-6-8-19(14-17)27-15(3)5-2/h4,6-12,14-15H,1,5,13H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyHKRSDMQYFNCXIG-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.50
Rot. Bonds8

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

3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide (PubChem CID 17149945) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
PubChem CID17149945
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C21H24N2O4/c1-4-13-26-18-11-9-16(10-12-18)20(24)22-23-21(25)17-7-6-8-19(14-17)27-15(3)5-2/h4,6-12,14-15H,1,5,13H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyHKRSDMQYFNCXIG-UHFFFAOYSA-N
XLogP3.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 17141451
3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide
CID 40614005
3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4955159
3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17139786
3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17149890
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide
CID 4928818
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4926011
N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
CID 17141455
3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 17149910
3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 17149863
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The IUPAC name of 3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide (CID 17149945) is 3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide.
What is the SMILES notation for 3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The canonical SMILES for 3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide is C=CCOc1ccc(C(=O)NNC(=O)c2cccc(OC(C)CC)c2)cc1.
What is the InChIKey of 3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The InChIKey is HKRSDMQYFNCXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-13-26-18-11-9-16(10-12-18)20(24)22-23-21(25)17-7-6-8-19(14-17)27-15(3)5-2/h4,6-12,14-15H,1,5,13H2,2-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide has a molecular weight of 368.43 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide is sourced from PubChem (CID 17149945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).