3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide

C24H24N2O3 — CID 17073449

IUPAC3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1cccc(C)c1
InChIInChI=1S/C24H24N2O3/c1-3-22(24(28)26-25-23(27)20-11-7-8-17(2)16-20)29-21-14-12-19(13-15-21)18-9-5-4-6-10-18/h4-16,22H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBCBXKMSIYMNZPA-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.28
Rot. Bonds6

About 3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide

3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide (PubChem CID 17073449) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
PubChem CID17073449
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1cccc(C)c1
InChIInChI=1S/C24H24N2O3/c1-3-22(24(28)26-25-23(27)20-11-7-8-17(2)16-20)29-21-14-12-19(13-15-21)18-9-5-4-6-10-18/h4-16,22H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBCBXKMSIYMNZPA-UHFFFAOYSA-N
XLogP4.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073450
4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928674
N'-[2-(4-methylphenoxy)butanoyl]-3-nitrobenzohydrazide
CID 4950238
2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073460
3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4952004
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide
CID 4928818
4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928678
N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide
CID 17073544
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
CID 9237504
4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4930869
2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 17073316

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide?
The IUPAC name of 3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide (CID 17073449) is 3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide.
What is the SMILES notation for 3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide?
The canonical SMILES for 3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide is CCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1cccc(C)c1.
What is the InChIKey of 3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide?
The InChIKey is BCBXKMSIYMNZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-3-22(24(28)26-25-23(27)20-11-7-8-17(2)16-20)29-21-14-12-19(13-15-21)18-9-5-4-6-10-18/h4-16,22H,3H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide?
3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide has a molecular weight of 388.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide is sourced from PubChem (CID 17073449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).