N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide

C22H22N2O6 — CID 7943426

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C22H22N2O6/c1-13-4-5-14(2)18(8-13)29-12-21(26)24-23-20(25)11-28-16-6-7-17-15(3)9-22(27)30-19(17)10-16/h4-10H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIJKPSPHHCJPCJH-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.32
Rot. Bonds6

About N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide (PubChem CID 7943426) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide
PubChem CID7943426
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C22H22N2O6/c1-13-4-5-14(2)18(8-13)29-12-21(26)24-23-20(25)11-28-16-6-7-17-15(3)9-22(27)30-19(17)10-16/h4-10H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIJKPSPHHCJPCJH-UHFFFAOYSA-N
XLogP2.32
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea
CID 7996338
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
N-[3-(dimethylamino)propyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4911670
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 9412255
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide
CID 60533521
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
N-[(2S)-5-methylhexan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7688955

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide (CID 7943426) is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide?
The InChIKey is IJKPSPHHCJPCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-13-4-5-14(2)18(8-13)29-12-21(26)24-23-20(25)11-28-16-6-7-17-15(3)9-22(27)30-19(17)10-16/h4-10H,11-12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide has a molecular weight of 410.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide is sourced from PubChem (CID 7943426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).