N'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide

C22H25N3O4 — CID 67640882

IUPACN'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide
SMILESCC(=O)N(CCO)Nc1ccccc1C1c2cc(C#N)ccc2OC(C)(C)C1O
InChIInChI=1S/C22H25N3O4/c1-14(27)25(10-11-26)24-18-7-5-4-6-16(18)20-17-12-15(13-23)8-9-19(17)29-22(2,3)21(20)28/h4-9,12,20-21,24,26,28H,10-11H2,1-3H3
InChIKeyLCAGREUUCVSXTD-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.39
Rot. Bonds5

About N'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide

N'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide (PubChem CID 67640882) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide
PubChem CID67640882
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide
SMILESCC(=O)N(CCO)Nc1ccccc1C1c2cc(C#N)ccc2OC(C)(C)C1O
InChIInChI=1S/C22H25N3O4/c1-14(27)25(10-11-26)24-18-7-5-4-6-16(18)20-17-12-15(13-23)8-9-19(17)29-22(2,3)21(20)28/h4-9,12,20-21,24,26,28H,10-11H2,1-3H3
InChIKeyLCAGREUUCVSXTD-UHFFFAOYSA-N
XLogP2.39
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide?
The IUPAC name of N'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide (CID 67640882) is N'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide.
What is the SMILES notation for N'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide?
The canonical SMILES for N'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide is CC(=O)N(CCO)Nc1ccccc1C1c2cc(C#N)ccc2OC(C)(C)C1O.
What is the InChIKey of N'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide?
The InChIKey is LCAGREUUCVSXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14(27)25(10-11-26)24-18-7-5-4-6-16(18)20-17-12-15(13-23)8-9-19(17)29-22(2,3)21(20)28/h4-9,12,20-21,24,26,28H,10-11H2,1-3H3.
What are the key properties of N'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide?
N'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide has a molecular weight of 395.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)phenyl]-N-(2-hydroxyethyl)acetohydrazide is sourced from PubChem (CID 67640882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).