4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide

C22H26N4O4 — CID 56502865

IUPAC4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)NNC(=O)CNc1ccc(C)cc1C
InChIInChI=1S/C22H26N4O4/c1-15-6-8-18(16(2)11-15)24-14-22(28)26-25-21(27)5-4-10-30-19-9-7-17(13-23)12-20(19)29-3/h6-9,11-12,24H,4-5,10,14H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyUCSHKTVIFGTTKZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.60
Rot. Bonds9

About 4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide

4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide (PubChem CID 56502865) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide
PubChem CID56502865
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)NNC(=O)CNc1ccc(C)cc1C
InChIInChI=1S/C22H26N4O4/c1-15-6-8-18(16(2)11-15)24-14-22(28)26-25-21(27)5-4-10-30-19-9-7-17(13-23)12-20(19)29-3/h6-9,11-12,24H,4-5,10,14H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyUCSHKTVIFGTTKZ-UHFFFAOYSA-N
XLogP2.60
TPSA112.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 9432559
4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide
CID 47835221
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068
N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252194
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
3-[4-(4-cyano-2-methoxyphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 55784723
N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide
CID 104848764
4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide
CID 55745478
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55713615
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide
CID 55758533

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide (CID 56502865) is 4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide is COc1cc(C#N)ccc1OCCCC(=O)NNC(=O)CNc1ccc(C)cc1C.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide?
The InChIKey is UCSHKTVIFGTTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-15-6-8-18(16(2)11-15)24-14-22(28)26-25-21(27)5-4-10-30-19-9-7-17(13-23)12-20(19)29-3/h6-9,11-12,24H,4-5,10,14H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide?
4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide has a molecular weight of 410.47 g/mol, XLogP of 2.60, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide is sourced from PubChem (CID 56502865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).