N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide

C19H22N2O3 — CID 27569378

IUPACN'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C19H22N2O3/c1-12-5-8-17(15(4)9-12)19(23)21-20-18(22)11-24-16-7-6-13(2)14(3)10-16/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyUOOOWTRUGTVHED-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.76
Rot. Bonds4

About N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide

N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide (PubChem CID 27569378) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
PubChem CID27569378
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C19H22N2O3/c1-12-5-8-17(15(4)9-12)19(23)21-20-18(22)11-24-16-7-6-13(2)14(3)10-16/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyUOOOWTRUGTVHED-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589708
2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 27569390
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide
CID 26846108
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 18871077
4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846175
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 4938115
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
N'-[2-(2,5-dichlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 24563273
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 9276630

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide (CID 27569378) is N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide?
The InChIKey is UOOOWTRUGTVHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-5-8-17(15(4)9-12)19(23)21-20-18(22)11-24-16-7-6-13(2)14(3)10-16/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide?
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide has a molecular weight of 326.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 27569378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).