N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C16H19NO5 — CID 2081326

IUPACN-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C16H19NO5/c1-19-13-7-11(8-14(20-2)16(13)21-3)9-15(18)17-10-12-5-4-6-22-12/h4-8H,9-10H2,1-3H3,(H,17,18)
InChIKeyCMGNGTYQXNHFQG-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.16
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2081326) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2081326
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C16H19NO5/c1-19-13-7-11(8-14(20-2)16(13)21-3)9-15(18)17-10-12-5-4-6-22-12/h4-8H,9-10H2,1-3H3,(H,17,18)
InChIKeyCMGNGTYQXNHFQG-UHFFFAOYSA-N
XLogP2.16
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 2081326) is N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NCc2ccco2)cc(OC)c1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is CMGNGTYQXNHFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-19-13-7-11(8-14(20-2)16(13)21-3)9-15(18)17-10-12-5-4-6-22-12/h4-8H,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 305.33 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2081326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).