N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide

C15H23NO4 — CID 113095618

IUPACN-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-5-6-14(17)16-8-7-11-9-12(18-2)15(20-4)13(10-11)19-3/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyVTPHCZYABPJHMN-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.17
Rot. Bonds8

About N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide

N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide (PubChem CID 113095618) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide
PubChem CID113095618
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-5-6-14(17)16-8-7-11-9-12(18-2)15(20-4)13(10-11)19-3/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyVTPHCZYABPJHMN-UHFFFAOYSA-N
XLogP2.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide?
The IUPAC name of N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide (CID 113095618) is N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide.
What is the SMILES notation for N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide?
The canonical SMILES for N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide is CCCC(=O)NCCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide?
The InChIKey is VTPHCZYABPJHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-6-14(17)16-8-7-11-9-12(18-2)15(20-4)13(10-11)19-3/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide?
N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide has a molecular weight of 281.35 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 113095618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).