N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide

C24H23NO6 — CID 146048709

IUPACN-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide
SMILESCOc1ccc(-c2oc3c(c(C)cc4oc(=O)cc(C)c43)c2CC(=O)NCCO)cc1
InChIInChI=1S/C24H23NO6/c1-13-10-18-22(14(2)11-20(28)30-18)24-21(13)17(12-19(27)25-8-9-26)23(31-24)15-4-6-16(29-3)7-5-15/h4-7,10-11,26H,8-9,12H2,1-3H3,(H,25,27)
InChIKeySYZOECAQDWJNAK-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.48
Rot. Bonds6

About N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide

N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide (PubChem CID 146048709) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide
PubChem CID146048709
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC NameN-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide
SMILESCOc1ccc(-c2oc3c(c(C)cc4oc(=O)cc(C)c43)c2CC(=O)NCCO)cc1
InChIInChI=1S/C24H23NO6/c1-13-10-18-22(14(2)11-20(28)30-18)24-21(13)17(12-19(27)25-8-9-26)23(31-24)15-4-6-16(29-3)7-5-15/h4-7,10-11,26H,8-9,12H2,1-3H3,(H,25,27)
InChIKeySYZOECAQDWJNAK-UHFFFAOYSA-N
XLogP3.48
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide
CID 154925442
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide
CID 154925321
2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropyl]acetamide
CID 154925453
2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 154925497
2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 154925524
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
CID 134716963
N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
CID 134716919
2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 155486625
2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide
CID 155486617
N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide
CID 4967565
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide (CID 146048709) is N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide is COc1ccc(-c2oc3c(c(C)cc4oc(=O)cc(C)c43)c2CC(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide?
The InChIKey is SYZOECAQDWJNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6/c1-13-10-18-22(14(2)11-20(28)30-18)24-21(13)17(12-19(27)25-8-9-26)23(31-24)15-4-6-16(29-3)7-5-15/h4-7,10-11,26H,8-9,12H2,1-3H3,(H,25,27).
What are the key properties of N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide?
N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide has a molecular weight of 421.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide is sourced from PubChem (CID 146048709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).