N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide

C22H23NO6 — CID 4967565

IUPACN-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide
SMILESCOCCNC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C
InChIInChI=1S/C22H23NO6/c1-14-19(28-13-20(24)23-10-11-26-2)9-8-17-18(12-21(25)29-22(14)17)15-4-6-16(27-3)7-5-15/h4-9,12H,10-11,13H2,1-3H3,(H,23,24)
InChIKeyOLBMELDBPGYXDG-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.92
Rot. Bonds8

About N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide

N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide (PubChem CID 4967565) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide
PubChem CID4967565
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC NameN-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide
SMILESCOCCNC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C
InChIInChI=1S/C22H23NO6/c1-14-19(28-13-20(24)23-10-11-26-2)9-8-17-18(12-21(25)29-22(14)17)15-4-6-16(27-3)7-5-15/h4-9,12H,10-11,13H2,1-3H3,(H,23,24)
InChIKeyOLBMELDBPGYXDG-UHFFFAOYSA-N
XLogP2.92
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]pyrrolidine-2-carboxamide
CID 39377744
N-[(2R)-2-hydroxy-2-phenylethyl]-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 40825213
N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 4838441
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485540
ethyl (2R)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxypropanoate
CID 1332926
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 8564314
4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one
CID 2926955
3-methyl-2-[[2-[[2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanoic acid
CID 3674779
7-hydroxy-8-[(2-methoxyethylamino)methyl]-4-(4-methoxyphenyl)chromen-2-one;hydrochloride
CID 45369663
N-[3-(dimethylamino)propyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4903604
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
7-[2-(4-bromophenyl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
CID 4914745

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide (CID 4967565) is N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide is COCCNC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide?
The InChIKey is OLBMELDBPGYXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-14-19(28-13-20(24)23-10-11-26-2)9-8-17-18(12-21(25)29-22(14)17)15-4-6-16(27-3)7-5-15/h4-9,12H,10-11,13H2,1-3H3,(H,23,24).
What are the key properties of N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide?
N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide has a molecular weight of 397.43 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 4967565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).