N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide

C25H25NO7 — CID 134716919

IUPACN-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
SMILESCOc1ccc2cc(-c3oc4cc(C)oc(=O)c4c3CC(=O)NCC(OC)OC)ccc2c1
InChIInChI=1S/C25H25NO7/c1-14-9-20-23(25(28)32-14)19(12-21(27)26-13-22(30-3)31-4)24(33-20)17-6-5-16-11-18(29-2)8-7-15(16)10-17/h5-11,22H,12-13H2,1-4H3,(H,26,27)
InChIKeyKAARHYVRQLFEKF-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.80
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide

N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide (PubChem CID 134716919) has the molecular formula C25H25NO7 and a molecular weight of 451.48 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
PubChem CID134716919
Molecular FormulaC25H25NO7
Molecular Weight451.48 g/mol
Exact Mass451.16
IUPAC NameN-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
SMILESCOc1ccc2cc(-c3oc4cc(C)oc(=O)c4c3CC(=O)NCC(OC)OC)ccc2c1
InChIInChI=1S/C25H25NO7/c1-14-9-20-23(25(28)32-14)19(12-21(27)26-13-22(30-3)31-4)24(33-20)17-6-5-16-11-18(29-2)8-7-15(16)10-17/h5-11,22H,12-13H2,1-4H3,(H,26,27)
InChIKeyKAARHYVRQLFEKF-UHFFFAOYSA-N
XLogP3.80
TPSA100.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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
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
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-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 154925524
N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide
CID 146048709
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-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid
CID 155486622
N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4838654
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-(6-methoxynaphthalen-2-yl)-4-oxo-5H-furo[3,2-c]quinolin-3-yl]acetic acid
CID 146048783
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-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[2-(4-methoxyphenyl)-4-oxofuro[3,2-c]chromen-3-yl]acetamide
CID 171038274

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide (CID 134716919) is N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide is COc1ccc2cc(-c3oc4cc(C)oc(=O)c4c3CC(=O)NCC(OC)OC)ccc2c1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide?
The InChIKey is KAARHYVRQLFEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO7/c1-14-9-20-23(25(28)32-14)19(12-21(27)26-13-22(30-3)31-4)24(33-20)17-6-5-16-11-18(29-2)8-7-15(16)10-17/h5-11,22H,12-13H2,1-4H3,(H,26,27).
What are the key properties of N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide?
N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide has a molecular weight of 451.48 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide is sourced from PubChem (CID 134716919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).