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

C20H22N2O4 — CID 4952150

IUPACN'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-4-13-25-17-9-5-15(6-10-17)19(23)21-22-20(24)16-7-11-18(12-8-16)26-14(2)3/h4-12,14H,1,13H2,2-3H3,(H,21,23)(H,22,24)
InChIKeyAZBSGYRDFYRPIQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.11
Rot. Bonds7

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

N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide (PubChem CID 4952150) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
PubChem CID4952150
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-4-13-25-17-9-5-15(6-10-17)19(23)21-22-20(24)16-7-11-18(12-8-16)26-14(2)3/h4-12,14H,1,13H2,2-3H3,(H,21,23)(H,22,24)
InChIKeyAZBSGYRDFYRPIQ-UHFFFAOYSA-N
XLogP3.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.11
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
N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
CID 4953506
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852
3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17149945
1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide
CID 4926340
N'-[2-(4-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925883
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
(2R)-2-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 54990441
N-[(2S)-2-hydroxypropyl]-4-prop-2-enoxybenzamide
CID 83030992
4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
CID 17177445
N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4945083
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964

Frequently Asked Questions

What is the IUPAC name of N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide (CID 4952150) is N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide is C=CCOc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide?
The InChIKey is AZBSGYRDFYRPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-13-25-17-9-5-15(6-10-17)19(23)21-22-20(24)16-7-11-18(12-8-16)26-14(2)3/h4-12,14H,1,13H2,2-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide?
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide has a molecular weight of 354.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 4952150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).