N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide

C22H22N2O4 — CID 9393736

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
SMILESCOc1cc2ccccc2cc1C(=O)NNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C22H22N2O4/c1-14-8-9-15(2)19(10-14)28-13-21(25)23-24-22(26)18-11-16-6-4-5-7-17(16)12-20(18)27-3/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGBPRBJVRAMMNHW-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.31
Rot. Bonds5

About N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide (PubChem CID 9393736) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
PubChem CID9393736
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
SMILESCOc1cc2ccccc2cc1C(=O)NNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C22H22N2O4/c1-14-8-9-15(2)19(10-14)28-13-21(25)23-24-22(26)18-11-16-6-4-5-7-17(16)12-20(18)27-3/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGBPRBJVRAMMNHW-UHFFFAOYSA-N
XLogP3.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 9470051
N'-[2-(4-ethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
CID 18225115
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 55386829
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
N'-[2-(2,5-dimethylphenoxy)acetyl]-3,3-diphenylpropanehydrazide
CID 7943424
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide
CID 55333176
N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide
CID 3442692
5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide (CID 9393736) is N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide is COc1cc2ccccc2cc1C(=O)NNC(=O)COc1cc(C)ccc1C.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide?
The InChIKey is GBPRBJVRAMMNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14-8-9-15(2)19(10-14)28-13-21(25)23-24-22(26)18-11-16-6-4-5-7-17(16)12-20(18)27-3/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide has a molecular weight of 378.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide is sourced from PubChem (CID 9393736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).