N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide

C21H24N2O4 — CID 4928818

IUPACN'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)C(CC)Oc2cccc(C)c2)cc1
InChIInChI=1S/C21H24N2O4/c1-4-13-26-17-11-9-16(10-12-17)20(24)22-23-21(25)19(5-2)27-18-8-6-7-15(3)14-18/h4,6-12,14,19H,1,5,13H2,2-3H3,(H,22,24)(H,23,25)
InChIKeySLMPHWFNFWYOGX-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.18
Rot. Bonds8

About N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide

N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide (PubChem CID 4928818) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide
PubChem CID4928818
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)C(CC)Oc2cccc(C)c2)cc1
InChIInChI=1S/C21H24N2O4/c1-4-13-26-17-11-9-16(10-12-17)20(24)22-23-21(25)19(5-2)27-18-8-6-7-15(3)14-18/h4,6-12,14,19H,1,5,13H2,2-3H3,(H,22,24)(H,23,25)
InChIKeySLMPHWFNFWYOGX-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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

4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928674
4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4930869
4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928678
N-[4-[[2-(3-methylphenoxy)butanoylamino]carbamoyl]phenyl]butanamide
CID 4928728
3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17149945
3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073449
N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 17141451
4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073450
propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4928819
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
CID 4953506
2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide
CID 4928581

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide (CID 4928818) is N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide is C=CCOc1ccc(C(=O)NNC(=O)C(CC)Oc2cccc(C)c2)cc1.
What is the InChIKey of N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide?
The InChIKey is SLMPHWFNFWYOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-13-26-17-11-9-16(10-12-17)20(24)22-23-21(25)19(5-2)27-18-8-6-7-15(3)14-18/h4,6-12,14,19H,1,5,13H2,2-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide?
N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide has a molecular weight of 368.43 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 4928818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).