N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C17H27NO4 — CID 49366508

IUPACN-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCCC(C)(C)NC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H27NO4/c1-7-8-17(2,3)18-15(19)11-12-9-13(20-4)16(22-6)14(10-12)21-5/h9-10H,7-8,11H2,1-6H3,(H,18,19)
InChIKeyGLJWFRXHRFSQKX-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.95
Rot. Bonds8

About N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 49366508) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID49366508
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC NameN-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCCC(C)(C)NC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H27NO4/c1-7-8-17(2,3)18-15(19)11-12-9-13(20-4)16(22-6)14(10-12)21-5/h9-10H,7-8,11H2,1-6H3,(H,18,19)
InChIKeyGLJWFRXHRFSQKX-UHFFFAOYSA-N
XLogP2.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 49366508) is N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is CCCC(C)(C)NC(=O)Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is GLJWFRXHRFSQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-7-8-17(2,3)18-15(19)11-12-9-13(20-4)16(22-6)14(10-12)21-5/h9-10H,7-8,11H2,1-6H3,(H,18,19).
What are the key properties of N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 49366508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).