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

C19H22N2O3 — CID 4928674

IUPAC4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O3/c1-4-17(24-16-7-5-6-14(3)12-16)19(23)21-20-18(22)15-10-8-13(2)9-11-15/h5-12,17H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyYUHYMKSKFFCWBJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.92
Rot. Bonds5

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

4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide (PubChem CID 4928674) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
PubChem CID4928674
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O3/c1-4-17(24-16-7-5-6-14(3)12-16)19(23)21-20-18(22)15-10-8-13(2)9-11-15/h5-12,17H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyYUHYMKSKFFCWBJ-UHFFFAOYSA-N
XLogP2.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.92
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-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928678
N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide
CID 4928818
4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4930869
N-[4-[[2-(3-methylphenoxy)butanoylamino]carbamoyl]phenyl]butanamide
CID 4928728
3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073449
4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073450
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide
CID 4928664
N'-[2-(4-methylphenoxy)butanoyl]-3-nitrobenzohydrazide
CID 4950238
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 43916230
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
CID 92672891
4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17232344

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide?
The IUPAC name of 4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide (CID 4928674) is 4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide.
What is the SMILES notation for 4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide?
The canonical SMILES for 4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide is CCC(Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide?
The InChIKey is YUHYMKSKFFCWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-17(24-16-7-5-6-14(3)12-16)19(23)21-20-18(22)15-10-8-13(2)9-11-15/h5-12,17H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide?
4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide has a molecular weight of 326.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide is sourced from PubChem (CID 4928674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).