N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide

C22H24N2O4 — CID 70365223

IUPACN-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2oc(-c3ccccc3NCCO)cc(=O)c12
InChIInChI=1S/C22H24N2O4/c1-22(2,3)21(27)24-16-9-6-10-18-20(16)17(26)13-19(28-18)14-7-4-5-8-15(14)23-11-12-25/h4-10,13,23,25H,11-12H2,1-3H3,(H,24,27)
InChIKeyLLISZROJLBVVEW-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.85
Rot. Bonds5

About N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide

N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide (PubChem CID 70365223) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide
PubChem CID70365223
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2oc(-c3ccccc3NCCO)cc(=O)c12
InChIInChI=1S/C22H24N2O4/c1-22(2,3)21(27)24-16-9-6-10-18-20(16)17(26)13-19(28-18)14-7-4-5-8-15(14)23-11-12-25/h4-10,13,23,25H,11-12H2,1-3H3,(H,24,27)
InChIKeyLLISZROJLBVVEW-UHFFFAOYSA-N
XLogP3.85
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide (CID 70365223) is N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc2oc(-c3ccccc3NCCO)cc(=O)c12.
What is the InChIKey of N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide?
The InChIKey is LLISZROJLBVVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-22(2,3)21(27)24-16-9-6-10-18-20(16)17(26)13-19(28-18)14-7-4-5-8-15(14)23-11-12-25/h4-10,13,23,25H,11-12H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide?
N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide has a molecular weight of 380.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 70365223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).