5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide

C30H31NO8 — CID 56951136

IUPAC5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(=O)c3c(OCCc4ccc(OC)c(OC)c4)cccc3o2)cc1OC
InChIInChI=1S/C30H31NO8/c1-34-22-10-8-19(16-26(22)36-3)12-14-31-30(33)28-18-21(32)29-24(6-5-7-25(29)39-28)38-15-13-20-9-11-23(35-2)27(17-20)37-4/h5-11,16-18H,12-15H2,1-4H3,(H,31,33)
InChIKeyLLCUIAOZTOQYFL-UHFFFAOYSA-N
MW533.58 g/mol
LogP4.42
Rot. Bonds12

About 5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide

5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide (PubChem CID 56951136) has the molecular formula C30H31NO8 and a molecular weight of 533.58 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
PubChem CID56951136
Molecular FormulaC30H31NO8
Molecular Weight533.58 g/mol
Exact Mass533.20
IUPAC Name5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(=O)c3c(OCCc4ccc(OC)c(OC)c4)cccc3o2)cc1OC
InChIInChI=1S/C30H31NO8/c1-34-22-10-8-19(16-26(22)36-3)12-14-31-30(33)28-18-21(32)29-24(6-5-7-25(29)39-28)38-15-13-20-9-11-23(35-2)27(17-20)37-4/h5-11,16-18H,12-15H2,1-4H3,(H,31,33)
InChIKeyLLCUIAOZTOQYFL-UHFFFAOYSA-N
XLogP4.42
TPSA105.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.58
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide (CID 56951136) is 5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide is COc1ccc(CCNC(=O)c2cc(=O)c3c(OCCc4ccc(OC)c(OC)c4)cccc3o2)cc1OC.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is LLCUIAOZTOQYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO8/c1-34-22-10-8-19(16-26(22)36-3)12-14-31-30(33)28-18-21(32)29-24(6-5-7-25(29)39-28)38-15-13-20-9-11-23(35-2)27(17-20)37-4/h5-11,16-18H,12-15H2,1-4H3,(H,31,33).
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 533.58 g/mol, XLogP of 4.42, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 56951136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).