2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide

C21H25NO6 — CID 2110484

IUPAC2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H25NO6/c1-6-7-14-8-9-16(17(10-14)24-2)28-13-20(23)22-15-11-18(25-3)21(27-5)19(12-15)26-4/h6-12H,13H2,1-5H3,(H,22,23)/b7-6+
InChIKeyPOGICSXTRHLAGR-VOTSOKGWSA-N
MW387.43 g/mol
LogP3.77
Rot. Bonds9

About 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2110484) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2110484
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H25NO6/c1-6-7-14-8-9-16(17(10-14)24-2)28-13-20(23)22-15-11-18(25-3)21(27-5)19(12-15)26-4/h6-12H,13H2,1-5H3,(H,22,23)/b7-6+
InChIKeyPOGICSXTRHLAGR-VOTSOKGWSA-N
XLogP3.77
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 2110484) is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide is C/C=C/c1ccc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is POGICSXTRHLAGR-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H25NO6/c1-6-7-14-8-9-16(17(10-14)24-2)28-13-20(23)22-15-11-18(25-3)21(27-5)19(12-15)26-4/h6-12H,13H2,1-5H3,(H,22,23)/b7-6+.
What are the key properties of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 387.43 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2110484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).