N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide

C26H23NO6 — CID 98476312

IUPACN-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide
SMILESCCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2o1
InChIInChI=1S/C26H23NO6/c1-4-32-23-8-6-5-7-21(23)25-15-22(28)20-10-9-17(13-24(20)33-25)27-26(29)16-11-18(30-2)14-19(12-16)31-3/h5-15H,4H2,1-3H3,(H,27,29)
InChIKeyVMFMFZLMLUVJEK-UHFFFAOYSA-N
MW445.47 g/mol
LogP5.13
Rot. Bonds7

About N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide

N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide (PubChem CID 98476312) has the molecular formula C26H23NO6 and a molecular weight of 445.47 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide
PubChem CID98476312
Molecular FormulaC26H23NO6
Molecular Weight445.47 g/mol
Exact Mass445.15
IUPAC NameN-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide
SMILESCCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2o1
InChIInChI=1S/C26H23NO6/c1-4-32-23-8-6-5-7-21(23)25-15-22(28)20-10-9-17(13-24(20)33-25)27-26(29)16-11-18(30-2)14-19(12-16)31-3/h5-15H,4H2,1-3H3,(H,27,29)
InChIKeyVMFMFZLMLUVJEK-UHFFFAOYSA-N
XLogP5.13
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide
CID 98476056
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]cyclopropanecarboxamide
CID 98476235
4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide
CID 98476084
N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide
CID 18568882
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide
CID 98476256
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 98476004
N-(3,5-dimethoxyphenyl)-3,4,5-triethoxybenzamide
CID 2182234
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
CID 98476168
N-dibenzofuran-3-yl-3,4-diethoxybenzamide
CID 100535304
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide (CID 98476312) is N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide is CCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2o1.
What is the InChIKey of N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide?
The InChIKey is VMFMFZLMLUVJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO6/c1-4-32-23-8-6-5-7-21(23)25-15-22(28)20-10-9-17(13-24(20)33-25)27-26(29)16-11-18(30-2)14-19(12-16)31-3/h5-15H,4H2,1-3H3,(H,27,29).
What are the key properties of N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide?
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide has a molecular weight of 445.47 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 98476312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).