N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide

C19H22N2O3 — CID 9237504

IUPACN'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
SMILESCCc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-15-8-10-17(11-9-15)24-14(3)18(22)20-21-19(23)16-7-5-6-13(2)12-16/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyACHHJLSYOCZARM-AWEZNQCLSA-N
MW326.40 g/mol
LogP2.79
Rot. Bonds5

About N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide

N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide (PubChem CID 9237504) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
PubChem CID9237504
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
SMILESCCc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-15-8-10-17(11-9-15)24-14(3)18(22)20-21-19(23)16-7-5-6-13(2)12-16/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyACHHJLSYOCZARM-AWEZNQCLSA-N
XLogP2.79
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 ≤ 52.79
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

3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide
CID 4953482
N-[(2S)-1-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9425095
4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 55792697
N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4953445
3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4952004
3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide
CID 4010185
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
CID 4953506
N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide
CID 9237602
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 9237641
3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073449
N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4953511

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide?
The IUPAC name of N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide (CID 9237504) is N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide is CCc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide?
The InChIKey is ACHHJLSYOCZARM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-15-8-10-17(11-9-15)24-14(3)18(22)20-21-19(23)16-7-5-6-13(2)12-16/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide?
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide has a molecular weight of 326.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide is sourced from PubChem (CID 9237504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).