N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide

C21H24N2O4 — CID 17141451

IUPACN'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-4-14-26-18-10-6-16(7-11-18)20(24)22-23-21(25)17-8-12-19(13-9-17)27-15(3)5-2/h4,6-13,15H,1,5,14H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyGHXZIRKBGVBCQR-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.50
Rot. Bonds8

About N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide

N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide (PubChem CID 17141451) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
PubChem CID17141451
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-4-14-26-18-10-6-16(7-11-18)20(24)22-23-21(25)17-8-12-19(13-9-17)27-15(3)5-2/h4,6-13,15H,1,5,14H2,2-3H3,(H,22,24)(H,23,25)
InChIKeyGHXZIRKBGVBCQR-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

3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17149945
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
CID 17141455
N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
CID 4953506
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852
4-butan-2-yloxy-N'-(2-phenylacetyl)benzohydrazide
CID 17141392
1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide
CID 4926340
propyl 4-[2-[2-(4-butan-2-yloxybenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 17141452
N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide
CID 4928818
N'-[2-(4-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925883
N'-[4-[(2R)-butan-2-yl]oxybenzoyl]thiophene-2-carbohydrazide
CID 959986
(2R)-2-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 54990441

Frequently Asked Questions

What is the IUPAC name of N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide (CID 17141451) is N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide is C=CCOc1ccc(C(=O)NNC(=O)c2ccc(OC(C)CC)cc2)cc1.
What is the InChIKey of N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide?
The InChIKey is GHXZIRKBGVBCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-14-26-18-10-6-16(7-11-18)20(24)22-23-21(25)17-8-12-19(13-9-17)27-15(3)5-2/h4,6-13,15H,1,5,14H2,2-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide?
N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide 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 N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 17141451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).