2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide

C24H23N3O2 — CID 15129776

IUPAC2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide
SMILESCc1ccc2c(NNC(=O)COc3cccc(C)c3C)c3ccccc3nc2c1
InChIInChI=1S/C24H23N3O2/c1-15-11-12-19-21(13-15)25-20-9-5-4-8-18(20)24(19)27-26-23(28)14-29-22-10-6-7-16(2)17(22)3/h4-13H,14H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyCXCBYSBXOXKHII-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.84
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide

2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide (PubChem CID 15129776) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide
PubChem CID15129776
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide
SMILESCc1ccc2c(NNC(=O)COc3cccc(C)c3C)c3ccccc3nc2c1
InChIInChI=1S/C24H23N3O2/c1-15-11-12-19-21(13-15)25-20-9-5-4-8-18(20)24(19)27-26-23(28)14-29-22-10-6-7-16(2)17(22)3/h4-13H,14H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyCXCBYSBXOXKHII-UHFFFAOYSA-N
XLogP4.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide
CID 2962367
N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 15129766
N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide
CID 15129790
2-(2,3-dimethylphenoxy)-N-naphthalen-1-ylacetamide
CID 720683
2-(2,3-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 720593
2-(2,3-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 17380454
N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide
CID 2309994
2-(2,3-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 35022382
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294
N-(2-chloro-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 18075657
N'-acridin-9-yl-2-naphthalen-1-ylacetohydrazide
CID 3740992
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1334409

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide (CID 15129776) is 2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide is Cc1ccc2c(NNC(=O)COc3cccc(C)c3C)c3ccccc3nc2c1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide?
The InChIKey is CXCBYSBXOXKHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-15-11-12-19-21(13-15)25-20-9-5-4-8-18(20)24(19)27-26-23(28)14-29-22-10-6-7-16(2)17(22)3/h4-13H,14H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide?
2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide has a molecular weight of 385.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide is sourced from PubChem (CID 15129776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).