N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide

C19H22N2O3 — CID 9297840

IUPACN'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1c(C)cccc1C
InChIInChI=1S/C19H22N2O3/c1-12-8-5-6-11-16(12)19(23)21-20-18(22)15(4)24-17-13(2)9-7-10-14(17)3/h5-11,15H,1-4H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyFLIUPBFJFDSKHB-HNNXBMFYSA-N
MW326.40 g/mol
LogP2.84
Rot. Bonds4

About N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide

N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide (PubChem CID 9297840) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide
PubChem CID9297840
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1c(C)cccc1C
InChIInChI=1S/C19H22N2O3/c1-12-8-5-6-11-16(12)19(23)21-20-18(22)15(4)24-17-13(2)9-7-10-14(17)3/h5-11,15H,1-4H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyFLIUPBFJFDSKHB-HNNXBMFYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.84
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

N'-[2-(2,6-dimethylphenoxy)propanoyl]-2-nitrobenzohydrazide
CID 4958662
N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-2-nitrobenzohydrazide
CID 9297820
N'-[2-(3-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 55789103
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 17046473
(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 9297829
2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]-N-ethylbenzamide
CID 9297715
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 17151271
N'-[2-(2-fluorophenoxy)propanoyl]-2-iodo-3-methylbenzohydrazide
CID 46452811
N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9297964
2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 4958532
2-methyl-N'-(3-propan-2-yloxybenzoyl)benzohydrazide
CID 17142532

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide?
The IUPAC name of N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide (CID 9297840) is N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1c(C)cccc1C.
What is the InChIKey of N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide?
The InChIKey is FLIUPBFJFDSKHB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-8-5-6-11-16(12)19(23)21-20-18(22)15(4)24-17-13(2)9-7-10-14(17)3/h5-11,15H,1-4H3,(H,20,22)(H,21,23)/t15-/m0/s1.
What are the key properties of N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide?
N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide has a molecular weight of 326.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide is sourced from PubChem (CID 9297840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).