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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Otilonium
CID 72093
Salverine
CID 65585
2-[[3-(2-Phenylethoxy)phenyl]amino]benzamide
CID 56935695
methyl 4-oxo-7-(3-phenylpropoxy)-1H-quinoline-3-carboxylate
CID 140877936
2-methoxy-N-(4-methyl-2-oxo-2H-chromen-7-yl)benzamide
CID 681811
2-[(2-Hydroxyethyl)amino]-3-[(3-methoxyphenyl)amino]naphthoquinone
CID 2903208
2-[(2-Ethoxybenzoyl)amino]benzamide
CID 673608
N-(2,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 871808
N-(3-hydroxyphenyl)-4-oxochromene-3-carboxamide
CID 155563026
9H-Xanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-
CID 296314
5-Amino-2-[4-(methylamino)phenyl]chromen-4-one
CID 10333138
5-Amino-4'-dimethylaminoflavone
CID 10564703

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).